LAMMPS (18 Feb 2013) Processor partition = 2 # temperature accelerated dynamics model for a single vacancy in bulk Si # events occur when a neighboring atom diffuses to the vacant site # run this on multiple partitions as # mpirun -np 3 lmp_g++ -partition 3x1 -in in.tad units metal atom_style atomic atom_modify map array boundary p p p atom_modify sort 0 0.0 # temperatures variable tlo equal 1800.0 variable thi equal 2400.0 # coordination number cutoff variable r equal 2.835 # minimization parameters variable etol equal 1.0e-5 variable ftol equal 1.0e-5 variable maxiter equal 100 variable maxeval equal 100 variable dmax equal 1.0e-1 # diamond unit cell variable a equal 5.431 lattice custom $a a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.0 0.0 0.0 basis 0.0 0.5 0.5 basis 0.5 0.0 0.5 basis 0.5 0.5 0.0 basis 0.25 0.25 0.25 basis 0.25 0.75 0.75 basis 0.75 0.25 0.75 basis 0.75 0.75 0.25 lattice custom 5.4310000000000000497 a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.0 0.0 0.0 basis 0.0 0.5 0.5 basis 0.5 0.0 0.5 basis 0.5 0.5 0.0 basis 0.25 0.25 0.25 basis 0.25 0.75 0.75 basis 0.75 0.25 0.75 basis 0.75 0.75 0.25 Lattice spacing in x,y,z = 5.431 5.431 5.431 region myreg block 0 4 0 4 0 4 create_box 1 myreg Created orthogonal box = (0 0 0) to (21.724 21.724 21.724) 1 by 1 by 1 MPI processor grid create_atoms 1 region myreg Created 512 atoms mass 1 28.06 group Si type 1 512 atoms in group Si velocity all create ${thi} 5287286 mom yes rot yes dist gaussian velocity all create 2400 5287286 mom yes rot yes dist gaussian # make a vacancy group del id 300 1 atoms in group del delete_atoms group del Deleted 1 atoms, new total = 511 pair_style sw pair_coeff * * Si.sw Si thermo 10 fix 1 all nve fix 2 all langevin ${thi} ${thi} 0.1 48278 fix 2 all langevin 2400 ${thi} 0.1 48278 fix 2 all langevin 2400 2400 0.1 48278 timestep 1.0e-3 neighbor 1.0 bin neigh_modify every 1 delay 10 check yes # equilibrate run 1000 Memory usage per processor = 2.0318 Mbytes Step Temp E_pair E_mol TotEng Press 0 2397.3877 -2211.666 0 -2053.6238 16437.395 10 1408.3954 -2139.6418 0 -2046.7966 19704.911 20 1093.6239 -2098.8191 0 -2026.7244 19039.499 30 1697.5623 -2125.7046 0 -2013.7967 14407.763 40 1432.3638 -2098.9446 0 -2004.5194 13762.586 50 1355.5121 -2075.899 0 -1986.54 15232.765 60 1740.8873 -2091.9136 0 -1977.1496 12856.126 70 1729.3154 -2080.3289 0 -1966.3278 13304.077 80 1544.9927 -2060.2808 0 -1958.4307 14545.574 90 1856.846 -2074.3867 0 -1951.9784 14679.213 100 1926.6837 -2075.6481 0 -1948.6359 15581.373 110 1952.0127 -2066.2941 0 -1937.6122 17867.407 120 2127.5273 -2070.5556 0 -1930.3033 18800.477 130 2263.2625 -2070.7786 0 -1921.5783 17480.258 140 2108.2074 -2055.1663 0 -1916.1876 18061.09 150 2108.0709 -2056.9914 0 -1918.0217 16185.697 160 2250.38 -2061.9776 0 -1913.6265 14775.208 170 2094.3406 -2051.5912 0 -1913.5267 15618.246 180 2133.2342 -2054.0585 0 -1913.43 14703.698 190 2167.8664 -2054.4793 0 -1911.5678 14412.634 200 2081.1592 -2044.2284 0 -1907.0328 16067.013 210 2193.7422 -2046.2424 0 -1901.6251 17491.305 220 2402.1726 -2058.7802 0 -1900.4225 16445.048 230 2236.7528 -2050.463 0 -1903.0103 15555.164 240 2073.9668 -2040.1169 0 -1903.3955 14943.188 250 2257.4854 -2050.8203 0 -1902.0008 15445.431 260 2315.568 -2051.1362 0 -1898.4877 16359.564 270 2262.0937 -2049.0576 0 -1899.9343 15948.584 280 2309.251 -2049.7917 0 -1897.5597 14754.994 290 2222.9618 -2047.2347 0 -1900.6911 14707.58 300 2150.8078 -2041.3575 0 -1899.5705 16172.518 310 2228.9047 -2040.8171 0 -1893.8817 17426.066 320 2376.2682 -2048.5423 0 -1891.8923 15802.606 330 2320.7227 -2042.4295 0 -1889.4413 16474.996 340 2310.4682 -2042.508 0 -1890.1957 16597.877 350 2466.8374 -2045.3922 0 -1882.7716 17771.513 360 2382.7707 -2044.9519 0 -1887.8733 16757.953 370 2318.9975 -2047.2097 0 -1894.3352 15267.698 380 2227.9435 -2038.9468 0 -1892.0748 15167.633 390 2241.238 -2035.6191 0 -1887.8707 16413.388 400 2298.3869 -2035.5143 0 -1883.9985 17573.361 410 2439.1094 -2041.2185 0 -1880.4259 17417.366 420 2438.0816 -2040.4181 0 -1879.6933 17000.799 430 2419.621 -2039.4524 0 -1879.9446 17277.841 440 2400.3962 -2036.392 0 -1878.1515 17353.749 450 2400.084 -2034.8541 0 -1876.6341 17301.395 460 2443.232 -2038.2591 0 -1877.1947 15880.125 470 2399.563 -2032.3026 0 -1874.117 14524.504 480 2379.1642 -2028.2813 0 -1871.4404 15080.571 490 2257.134 -2030.7105 0 -1881.9142 13267.538 500 2303.4365 -2033.254 0 -1881.4053 13303.626 510 2224.8834 -2029.9027 0 -1883.2324 15142.358 520 2259.6418 -2032.3898 0 -1883.4281 14426.825 530 2244.3528 -2036.563 0 -1888.6093 13611.835 540 2289.2186 -2033.577 0 -1882.6656 14593.524 550 2314.1805 -2030.4002 0 -1877.8432 16550.978 560 2434.1597 -2038.2171 0 -1877.7507 15320.174 570 2356.8023 -2033.9511 0 -1878.5843 15767.645 580 2448.0436 -2037.9988 0 -1876.6172 15958.914 590 2483.692 -2034.8435 0 -1871.1118 16533.816 600 2428.7684 -2032.2828 0 -1872.1719 17139.354 610 2369.1226 -2030.2599 0 -1874.081 15171.807 620 2351.8958 -2032.3817 0 -1877.3384 12759.907 630 2419.4363 -2037.1648 0 -1877.6691 12759.528 640 2306.8968 -2027.1601 0 -1875.0833 13699.543 650 2240.4669 -2023.1048 0 -1875.4073 14586.771 660 2303.5839 -2027.6735 0 -1875.8151 15077.465 670 2379.955 -2030.0505 0 -1873.1575 15633.06 680 2354.1404 -2030.6415 0 -1875.4502 16414.371 690 2427.7365 -2032.9922 0 -1872.9493 17097.223 700 2475.846 -2034.693 0 -1871.4786 18851.309 710 2456.3338 -2031.7442 0 -1869.8161 19487.645 720 2447.4768 -2037.4819 0 -1876.1377 17474.031 730 2435.1585 -2037.6942 0 -1877.162 16882.364 740 2391.3302 -2037.1798 0 -1879.5369 16071.534 750 2326.452 -2029.9922 0 -1876.6263 16117.229 760 2257.6714 -2022.4776 0 -1873.6458 17738.278 770 2371.2269 -2027.8008 0 -1871.4832 18100.791 780 2407.1838 -2030.3917 0 -1871.7037 17026.917 790 2367.9404 -2026.9448 0 -1870.8438 16038.578 800 2374.6123 -2033.0121 0 -1876.4713 14038.371 810 2424.6786 -2036.3506 0 -1876.5093 14206.078 820 2168.9017 -2026.7054 0 -1883.7256 16263.054 830 2323.0047 -2033.1056 0 -1879.967 17703.971 840 2498.7372 -2040.984 0 -1876.2606 17876.907 850 2460.7818 -2036.0467 0 -1873.8254 18545.104 860 2492.3205 -2034.6257 0 -1870.3253 19534.056 870 2575.2601 -2040.6532 0 -1870.8852 18719.18 880 2401.7961 -2030.4479 0 -1872.1151 17576.352 890 2386.7565 -2029.1495 0 -1871.8081 16681.21 900 2331.1129 -2028.8907 0 -1875.2175 14827.322 910 2414.7425 -2029.6198 0 -1870.4335 15192.331 920 2454.6751 -2027.6775 0 -1865.8587 15974.309 930 2428.2206 -2031.2363 0 -1871.1615 16206.415 940 2338.8519 -2027.1405 0 -1872.9572 15790.925 950 2342.8708 -2025.5463 0 -1871.0979 14662.456 960 2446.3658 -2027.9008 0 -1866.6298 16178.407 970 2479.8875 -2029.3424 0 -1865.8616 15827.32 980 2477.0203 -2028.29 0 -1864.9982 14789.439 990 2409.3478 -2024.9793 0 -1866.1486 14519.793 1000 2403.9699 -2022.9475 0 -1864.4714 15470.426 Loop time of 2.29979 on 1 procs for 1000 steps with 511 atoms Pair time (%) = 2.21489 (96.3082) Neigh time (%) = 0.0377162 (1.63998) Comm time (%) = 0.00944972 (0.410894) Outpt time (%) = 0.000857592 (0.0372899) Other time (%) = 0.036881 (1.60366) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1021 ave 1021 max 1021 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 13046 ave 13046 max 13046 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 13046 Ave neighs/atom = 25.5303 Neighbor list builds = 56 Dangerous builds = 0 # Eliminate COM motion velocity all zero linear # only output atoms near vacancy compute coord all coord/atom $r compute coord all coord/atom 2.8349999999999999645 #dump events all custom 1 dump.prd id type x y z #dump_modify events thresh c_coord != 4 compute patom all pe/atom compute pe all reduce sum c_patom compute satom all stress/atom compute str all reduce sum c_satom[1] c_satom[2] c_satom[3] variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol) thermo_style custom step temp pe c_pe press v_press compute event all event/displace 1.0 unfix 1 unfix 2 fix 1 all nvt temp ${thi} ${thi} 0.1 fix 1 all nvt temp 2400 ${thi} 0.1 fix 1 all nvt temp 2400 2400 0.1 # tad nsteps nevent tlo thi delta_conf tmax compute # [min etol ftol niter neval] # [neb etol_neb ftol_neb n1steps n2steps nevery] # [min_style min_style] # [neb_style min_style] # [neb_log logfile] tad 2000 50 ${tlo} ${thi} 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 ${thi} 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 100 ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 100 100 neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb Memory usage per processor = 4.43506 Mbytes Step Temp PotEng pe Press press 1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21 1010 2402.628 -2209.0552 -2209.0552 13124.77 -13124.77 1020 2402.628 -2213.2419 -2213.2419 13109.348 -13109.348 1022 2402.628 -2213.2803 -2213.2803 13111.643 -13111.643 Loop time of 0.056566 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2022.94753371 -2213.26863148 -2213.28029768 Force two-norm initial, final = 70.3784 0.377272 Force max component initial, final = 5.75308 0.037084 Final line search alpha, max atom move = 0.0625 0.00231775 Iterations, force evaluations = 22 50 Pair time (%) = 2.26885 (4010.98) Neigh time (%) = 0.039026 (68.992) Comm time (%) = 0.00990248 (17.5061) Outpt time (%) = 0.000991583 (1.75297) Other time (%) = -2.2622 (-3999.23) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1150 0 -2210.3277 -2210.3277 -2894.1659 2894.1659 1160 5.0093068e-10 -2210.3277 -2210.3277 -2894.1654 2894.1654 1170 5.492482e-09 -2210.3277 -2210.3277 -2894.16 2894.16 1180 2.6823132e-08 -2210.3277 -2210.3277 -2894.1364 2894.1364 1190 1.442462e-07 -2210.3278 -2210.3278 -2894.0072 2894.0072 1200 5.6941397e-07 -2210.3281 -2210.3281 -2893.536 2893.536 1210 2.7286163e-06 -2210.3293 -2210.3293 -2891.1444 2891.1444 1220 1.0300063e-05 -2210.3333 -2210.3333 -2882.8466 2882.8466 1230 2.2971017e-05 -2210.3423 -2210.3423 -2854.7405 2854.7405 1240 3.2808569e-05 -2210.3552 -2210.3552 -2871.9077 2871.9077 1250 3.594707e-05 -2210.3722 -2210.3722 -2874.7238 2874.7238 1260 7.8610014e-06 -2210.3556 -2210.3556 -2950.2634 2950.2634 1270 3.1033339e-05 -2210.3775 -2210.3775 -2881.0128 2881.0128 1280 1.6885339e-05 -2210.3769 -2210.3769 -2862.6994 2862.6994 1290 3.2733191e-05 -2210.3788 -2210.3788 -2904.9865 2904.9865 1300 1.3276349e-06 -2210.3607 -2210.3607 -2958.8904 2958.8904 1310 1.1298436e-06 -2210.3638 -2210.3638 -2954.6686 2954.6686 1320 1.2250413e-06 -2210.3708 -2210.3708 -2832.3221 2832.3221 1330 2.5638138e-06 -2210.3697 -2210.3697 -2830.5733 2830.5733 1340 2.6797373e-06 -2210.3797 -2210.3797 -2897.9275 2897.9275 1350 2.4291298e-06 -2210.3794 -2210.3794 -2901.6624 2901.6624 Loop time of 0.203294 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2210.32771293 -2210.37997743 -2210.37935652 Force two-norm initial, final = 0.761559 0.223978 Force max component initial, final = 0.141109 0.115869 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.183693 (90.3584) Neigh time (%) = 0 (0) Comm time (%) = 0.00160789 (0.790921) Outpt time (%) = 0.00133705 (0.657693) Other time (%) = 0.0166559 (8.19302) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14232 ave 14232 max 14232 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14232 Ave neighs/atom = 27.8513 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1350 0 -2210.3794 -2210.3794 -2901.6624 2901.6624 1360 4.3328896e-11 -2210.3794 -2210.3794 -2901.6621 2901.6621 1370 4.7501887e-10 -2210.3794 -2210.3794 -2901.6594 2901.6594 1380 2.3179452e-09 -2210.3794 -2210.3794 -2901.6476 2901.6476 1390 1.242021e-08 -2210.3794 -2210.3794 -2901.5827 2901.5827 1400 4.8191864e-08 -2210.3794 -2210.3794 -2901.3472 2901.3472 1410 2.1536536e-07 -2210.3795 -2210.3795 -2900.1734 2900.1734 1420 5.8626989e-07 -2210.3798 -2210.3798 -2896.4038 2896.4038 1430 3.5192587e-07 -2210.38 -2210.38 -2884.9637 2884.9637 1440 2.434635e-07 -2210.38 -2210.38 -2890.6413 2890.6413 1450 3.4131704e-08 -2210.3798 -2210.3798 -2895.6337 2895.6337 1460 1.8638458e-08 -2210.3799 -2210.3799 -2893.6776 2893.6776 1470 2.5000627e-08 -2210.38 -2210.38 -2884.7585 2884.7585 1480 1.0199399e-07 -2210.38 -2210.38 -2891.0841 2891.0841 1490 4.0875406e-10 -2210.38 -2210.38 -2890.1409 2890.1409 1500 9.9083081e-09 -2210.38 -2210.38 -2887.758 2887.758 1510 3.400939e-08 -2210.38 -2210.38 -2888.871 2888.871 Loop time of 0.160341 on 1 procs for 160 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2210.37935652 -2210.37998812 -2210.37999469 Force two-norm initial, final = 0.223978 0.00662292 Force max component initial, final = 0.115869 0.00339832 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 160 160 Pair time (%) = 0.147596 (92.0511) Neigh time (%) = 0 (0) Comm time (%) = 0.00130224 (0.81217) Outpt time (%) = 0.000999212 (0.623179) Other time (%) = 0.0104439 (6.51357) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14232 ave 14232 max 14232 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14232 Ave neighs/atom = 27.8513 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1550 0 -2213.2368 -2213.2368 -3396.2547 3396.2547 1560 1.9039633e-10 -2213.2368 -2213.2368 -3396.2547 3396.2547 1570 2.0876357e-09 -2213.2368 -2213.2368 -3396.254 3396.254 1580 1.0194865e-08 -2213.2368 -2213.2368 -3396.251 3396.251 1590 5.4833166e-08 -2213.2368 -2213.2368 -3396.2345 3396.2345 1600 2.1623698e-07 -2213.2369 -2213.2369 -3396.1746 3396.1746 1610 1.0396353e-06 -2213.2374 -2213.2374 -3395.8735 3395.8735 1620 3.9477339e-06 -2213.2391 -2213.2391 -3394.8687 3394.8687 1630 1.8936831e-05 -2213.2467 -2213.2467 -3391.2209 3391.2209 1640 5.0020717e-05 -2213.2672 -2213.2672 -3390.6889 3390.6889 1650 0.00010605104 -2213.3175 -2213.3175 -3385.7784 3385.7784 1660 6.5069812e-07 -2213.336 -2213.336 -3383.3143 3383.3143 1670 3.1350052e-07 -2213.3364 -2213.3364 -3383.8397 3383.8397 1680 1.0763366e-06 -2213.3369 -2213.3369 -3383.6793 3383.6793 1690 3.4333633e-08 -2213.3372 -2213.3372 -3383.4535 3383.4535 1700 2.6460074e-08 -2213.3373 -2213.3373 -3383.3317 3383.3317 1710 1.1436703e-07 -2213.3374 -2213.3374 -3383.3522 3383.3522 1716 9.6055846e-09 -2213.3374 -2213.3374 -3383.3875 3383.3875 Loop time of 0.166742 on 1 procs for 166 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.23675492 -2213.3373777 -2213.33737924 Force two-norm initial, final = 0.469509 0.00806101 Force max component initial, final = 0.0569166 0.00101257 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.146234 (87.7007) Neigh time (%) = 0 (0) Comm time (%) = 0.0013082 (0.784568) Outpt time (%) = 0.00106955 (0.641438) Other time (%) = 0.0181303 (10.8733) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1716 0 -2213.3374 -2213.3374 -3383.3875 3383.3875 1717 4.5509861e-16 -2213.3374 -2213.3374 -3383.3875 3383.3875 Loop time of 0.00216007 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737924 -2213.33737924 -2213.33737924 Force two-norm initial, final = 0.00806101 0.00806101 Force max component initial, final = 0.00101257 0.00101257 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185418 (85.8389) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.783664) Outpt time (%) = 0 (0) Other time (%) = 0.000288963 (13.3775) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1950 0 -2210.3201 -2210.3201 -2984.6338 2984.6338 1960 1.5298925e-10 -2210.3201 -2210.3201 -2984.6341 2984.6341 1970 1.6774483e-09 -2210.3201 -2210.3201 -2984.637 2984.637 1980 8.1915809e-09 -2210.3201 -2210.3201 -2984.6498 2984.6498 1990 4.4043183e-08 -2210.3201 -2210.3201 -2984.7196 2984.7196 2000 1.736695e-07 -2210.3202 -2210.3202 -2984.9736 2984.9736 2010 8.2973006e-07 -2210.3206 -2210.3206 -2986.245 2986.245 2020 3.1280897e-06 -2210.3218 -2210.3218 -2990.4143 2990.4143 2030 1.0321813e-05 -2210.3256 -2210.3256 -3001.3547 3001.3547 2040 2.3571966e-05 -2210.3351 -2210.3351 -2984.4566 2984.4566 2050 6.5744893e-08 -2210.352 -2210.352 -2977.6133 2977.6133 2060 5.6793351e-06 -2210.3553 -2210.3553 -2968.6595 2968.6595 2070 1.7533506e-06 -2210.3578 -2210.3578 -2960.0547 2960.0547 2080 6.3990654e-06 -2210.3618 -2210.3618 -2953.2118 2953.2118 2090 1.2071723e-06 -2210.3625 -2210.3625 -2952.0833 2952.0833 2100 5.3510687e-09 -2210.3645 -2210.3645 -2942.6078 2942.6078 2110 3.1027508e-08 -2210.3646 -2210.3646 -2941.4323 2941.4323 2120 3.8245439e-07 -2210.3648 -2210.3648 -2940.2031 2940.2031 2130 1.6048232e-06 -2210.3657 -2210.3657 -2932.4563 2932.4563 2140 8.3390819e-08 -2210.3662 -2210.3662 -2927.144 2927.144 2150 1.1404807e-09 -2210.3665 -2210.3665 -2921.2368 2921.2368 Loop time of 0.203044 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2210.32008705 -2210.36646754 -2210.36646754 Force two-norm initial, final = 0.420868 0.0176185 Force max component initial, final = 0.164469 0.00364235 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.184614 (90.9234) Neigh time (%) = 0 (0) Comm time (%) = 0.00159168 (0.78391) Outpt time (%) = 0.0013423 (0.661087) Other time (%) = 0.0154955 (7.63162) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14222 ave 14222 max 14222 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14222 Ave neighs/atom = 27.8317 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 0 -2210.3665 -2210.3665 -2921.2368 2921.2368 2160 2.6810817e-13 -2210.3665 -2210.3665 -2921.2368 2921.2368 2170 2.9399037e-12 -2210.3665 -2210.3665 -2921.2367 2921.2367 2180 1.4362192e-11 -2210.3665 -2210.3665 -2921.2367 2921.2367 2190 7.7377007e-11 -2210.3665 -2210.3665 -2921.2363 2921.2363 2200 3.0758214e-10 -2210.3665 -2210.3665 -2921.2347 2921.2347 2210 1.5285846e-09 -2210.3665 -2210.3665 -2921.2267 2921.2267 2220 6.9065397e-09 -2210.3665 -2210.3665 -2921.1925 2921.1925 2230 5.2984347e-08 -2210.3665 -2210.3665 -2920.8599 2920.8599 2240 9.1976987e-08 -2210.3665 -2210.3665 -2919.6703 2919.6703 2250 1.8852598e-07 -2210.3667 -2210.3667 -2915.7062 2915.7062 2260 8.4849705e-10 -2210.3667 -2210.3667 -2914.7636 2914.7636 2263 2.8403331e-09 -2210.3667 -2210.3667 -2914.7108 2914.7108 Loop time of 0.116554 on 1 procs for 113 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2210.36646754 -2210.36667402 -2210.36667448 Force two-norm initial, final = 0.0176185 0.00939525 Force max component initial, final = 0.00364235 0.00201016 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 113 113 Pair time (%) = 0.105707 (90.6937) Neigh time (%) = 0 (0) Comm time (%) = 0.000905275 (0.7767) Outpt time (%) = 0.000733852 (0.629624) Other time (%) = 0.00920773 (7.89996) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14230 ave 14230 max 14230 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14230 Ave neighs/atom = 27.8474 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.3234 -2213.3234 -3384.2623 3384.2623 2360 2.4136758e-10 -2213.3234 -2213.3234 -3384.2623 3384.2623 2370 2.6463553e-09 -2213.3234 -2213.3234 -3384.2624 3384.2624 2380 1.291923e-08 -2213.3235 -2213.3235 -3384.2626 3384.2626 2390 6.9375585e-08 -2213.3235 -2213.3235 -3384.2642 3384.2642 2400 2.7177557e-07 -2213.3236 -2213.3236 -3384.2697 3384.2697 2410 1.2674913e-06 -2213.3242 -2213.3242 -3384.2942 3384.2942 2420 4.2353281e-06 -2213.326 -2213.326 -3384.3357 3384.3357 2430 1.0918189e-05 -2213.3304 -2213.3304 -3383.9338 3383.9338 2440 1.1142917e-05 -2213.3347 -2213.3347 -3383.3492 3383.3492 2450 5.3493734e-06 -2213.3357 -2213.3357 -3383.4646 3383.4646 2460 3.8701125e-06 -2213.3367 -2213.3367 -3384.1529 3384.1529 2470 6.3677933e-07 -2213.3371 -2213.3371 -3383.2689 3383.2689 2480 5.6946852e-07 -2213.3373 -2213.3373 -3383.4752 3383.4752 2490 1.358502e-07 -2213.3373 -2213.3373 -3383.3484 3383.3484 2500 1.4404824e-08 -2213.3373 -2213.3373 -3383.3376 3383.3376 2510 5.0415063e-08 -2213.3374 -2213.3374 -3383.3787 3383.3787 2520 8.3323473e-08 -2213.3374 -2213.3374 -3383.3002 3383.3002 2527 1.1571795e-08 -2213.3374 -2213.3374 -3383.4143 3383.4143 Loop time of 0.178356 on 1 procs for 177 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32344573 -2213.33738416 -2213.33738484 Force two-norm initial, final = 0.528634 0.00481446 Force max component initial, final = 0.0645651 0.000839477 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 177 177 Pair time (%) = 0.156353 (87.6637) Neigh time (%) = 0 (0) Comm time (%) = 0.00140858 (0.789756) Outpt time (%) = 0.00114131 (0.639906) Other time (%) = 0.0194526 (10.9066) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2527 0 -2213.3374 -2213.3374 -3383.4143 3383.4143 2530 1.4610464e-15 -2213.3374 -2213.3374 -3383.4143 3383.4143 2540 4.3853458e-14 -2213.3374 -2213.3374 -3383.4143 3383.4143 2550 3.7656975e-13 -2213.3374 -2213.3374 -3383.4143 3383.4143 2560 1.7392829e-12 -2213.3374 -2213.3374 -3383.4143 3383.4143 2570 9.0265613e-12 -2213.3374 -2213.3374 -3383.4143 3383.4143 2580 3.5138681e-11 -2213.3374 -2213.3374 -3383.4142 3383.4142 2584 6.558358e-11 -2213.3374 -2213.3374 -3383.414 3383.414 Loop time of 0.0581439 on 1 procs for 57 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738484 -2213.33738487 -2213.33738488 Force two-norm initial, final = 0.00481446 0.00469678 Force max component initial, final = 0.000839477 0.000834097 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 57 57 Pair time (%) = 0.050966 (87.655) Neigh time (%) = 0 (0) Comm time (%) = 0.000470161 (0.808618) Outpt time (%) = 0.000404835 (0.696264) Other time (%) = 0.00630283 (10.8401) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2800 0 -2210.2791 -2210.2791 -2897.8685 2897.8685 2810 5.8798622e-10 -2210.2791 -2210.2791 -2897.8684 2897.8684 2820 6.4472498e-09 -2210.2791 -2210.2791 -2897.8673 2897.8673 2830 3.1492002e-08 -2210.2792 -2210.2792 -2897.8627 2897.8627 2840 1.6951856e-07 -2210.2792 -2210.2792 -2897.8377 2897.8377 2850 6.7193648e-07 -2210.2795 -2210.2795 -2897.7461 2897.7461 2860 3.2821348e-06 -2210.2811 -2210.2811 -2897.2741 2897.2741 2870 1.358526e-05 -2210.2862 -2210.2862 -2895.5205 2895.5205 2880 4.5479353e-05 -2210.3028 -2210.3028 -2886.963 2886.963 2890 4.8228066e-05 -2210.3217 -2210.3217 -2880.2603 2880.2603 2900 4.8688082e-05 -2210.3519 -2210.3519 -2890.1748 2890.1748 2910 2.1476452e-07 -2210.3545 -2210.3545 -2888.9476 2888.9476 2920 3.3235413e-06 -2210.3564 -2210.3564 -2888.4434 2888.4434 2930 8.7216506e-06 -2210.3617 -2210.3617 -2892.8658 2892.8658 2940 1.1224881e-08 -2210.3641 -2210.3641 -2895.4084 2895.4084 2950 5.423776e-07 -2210.3644 -2210.3644 -2895.3897 2895.3897 2960 1.1053915e-07 -2210.3648 -2210.3648 -2895.9001 2895.9001 2970 4.2797497e-08 -2210.3649 -2210.3649 -2896.0886 2896.0886 2980 4.9523656e-07 -2210.3652 -2210.3652 -2896.735 2896.735 2990 1.4667391e-06 -2210.366 -2210.366 -2898.7478 2898.7478 3000 2.0477083e-10 -2210.3666 -2210.3666 -2901.5784 2901.5784 Loop time of 0.201283 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2210.27913224 -2210.36659674 -2210.36659674 Force two-norm initial, final = 0.825083 0.0135736 Force max component initial, final = 0.110945 0.00166236 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.185101 (91.9605) Neigh time (%) = 0 (0) Comm time (%) = 0.0016067 (0.798231) Outpt time (%) = 0.00133705 (0.664265) Other time (%) = 0.0132384 (6.57702) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14230 ave 14230 max 14230 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14230 Ave neighs/atom = 27.8474 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3000 0 -2210.3666 -2210.3666 -2901.5784 2901.5784 3010 1.5913468e-13 -2210.3666 -2210.3666 -2901.5784 2901.5784 3020 1.7449696e-12 -2210.3666 -2210.3666 -2901.5784 2901.5784 3030 8.5246056e-12 -2210.3666 -2210.3666 -2901.5784 2901.5784 3040 4.5926453e-11 -2210.3666 -2210.3666 -2901.5787 2901.5787 3050 1.8254822e-10 -2210.3666 -2210.3666 -2901.5795 2901.5795 3060 9.0686196e-10 -2210.3666 -2210.3666 -2901.584 2901.584 3070 4.0615755e-09 -2210.3666 -2210.3666 -2901.6008 2901.6008 3080 2.621072e-08 -2210.3666 -2210.3666 -2901.7047 2901.7047 3090 5.7025655e-08 -2210.3666 -2210.3666 -2902.0006 2902.0006 3100 1.3012627e-07 -2210.3667 -2210.3667 -2903.1849 2903.1849 3105 4.2214234e-09 -2210.3667 -2210.3667 -2903.2252 2903.2252 Loop time of 0.106131 on 1 procs for 105 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2210.36659674 -2210.3667094 -2210.36671018 Force two-norm initial, final = 0.0135736 0.00748907 Force max component initial, final = 0.00166236 0.000944124 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 105 105 Pair time (%) = 0.0978246 (92.1734) Neigh time (%) = 0 (0) Comm time (%) = 0.000856876 (0.807376) Outpt time (%) = 0.000659704 (0.621594) Other time (%) = 0.00678992 (6.39768) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14230 ave 14230 max 14230 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14230 Ave neighs/atom = 27.8474 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1600 0 -2213.3006 -2213.3006 -3388.355 3388.355 1610 2.7779183e-10 -2213.3006 -2213.3006 -3388.355 3388.355 1620 3.0457945e-09 -2213.3006 -2213.3006 -3388.3548 3388.3548 1630 1.4871079e-08 -2213.3006 -2213.3006 -3388.3542 3388.3542 1640 7.9910872e-08 -2213.3006 -2213.3006 -3388.351 3388.351 1650 3.1382436e-07 -2213.3007 -2213.3007 -3388.339 3388.339 1660 1.4821751e-06 -2213.3015 -2213.3015 -3388.2768 3388.2768 1670 5.1768016e-06 -2213.3037 -2213.3037 -3388.0415 3388.0415 1680 1.6640678e-05 -2213.3112 -2213.3112 -3386.7191 3386.7191 1690 2.2600571e-05 -2213.3203 -2213.3203 -3384.7529 3384.7529 1700 2.5542751e-05 -2213.3315 -2213.3315 -3382.8807 3382.8807 1710 1.46454e-06 -2213.3366 -2213.3366 -3381.6037 3381.6037 1720 2.473232e-07 -2213.3371 -2213.3371 -3383.3007 3383.3007 1730 4.1390719e-07 -2213.3373 -2213.3373 -3383.5444 3383.5444 1740 7.8365647e-08 -2213.3374 -2213.3374 -3383.3886 3383.3886 1750 8.1783151e-09 -2213.3374 -2213.3374 -3383.4095 3383.4095 1760 2.022227e-08 -2213.3374 -2213.3374 -3383.4041 3383.4041 1770 3.6247798e-09 -2213.3374 -2213.3374 -3383.4407 3383.4407 1772 1.1112911e-08 -2213.3374 -2213.3374 -3383.4174 3383.4174 Loop time of 0.169733 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30055148 -2213.33738589 -2213.33738741 Force two-norm initial, final = 0.56712 0.00551351 Force max component initial, final = 0.0597908 0.000425695 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.151712 (89.383) Neigh time (%) = 0 (0) Comm time (%) = 0.00135875 (0.80052) Outpt time (%) = 0.00113368 (0.66792) Other time (%) = 0.0155282 (9.1486) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1772 0 -2213.3374 -2213.3374 -3383.4174 3383.4174 1780 1.4702192e-14 -2213.3374 -2213.3374 -3383.4174 3383.4174 1790 1.8555136e-13 -2213.3374 -2213.3374 -3383.4174 3383.4174 1800 1.030477e-12 -2213.3374 -2213.3374 -3383.4174 3383.4174 1810 5.3161267e-12 -2213.3374 -2213.3374 -3383.4174 3383.4174 1820 2.2331734e-11 -2213.3374 -2213.3374 -3383.4172 3383.4172 1830 9.8493926e-11 -2213.3374 -2213.3374 -3383.4165 3383.4165 1840 3.4014429e-10 -2213.3374 -2213.3374 -3383.4138 3383.4138 1850 8.0593876e-10 -2213.3374 -2213.3374 -3383.4041 3383.4041 1860 1.2064644e-09 -2213.3374 -2213.3374 -3383.395 3383.395 1870 6.6794793e-10 -2213.3374 -2213.3374 -3383.3886 3383.3886 1880 3.3654233e-10 -2213.3374 -2213.3374 -3383.3905 3383.3905 1890 4.6293412e-11 -2213.3374 -2213.3374 -3383.3947 3383.3947 1900 5.2102963e-11 -2213.3374 -2213.3374 -3383.3933 3383.3933 1910 5.9924822e-11 -2213.3374 -2213.3374 -3383.3932 3383.3932 1920 5.5178222e-13 -2213.3374 -2213.3374 -3383.3952 3383.3952 1930 5.5250169e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 1940 3.6549008e-12 -2213.3374 -2213.3374 -3383.3943 3383.3943 1950 3.1135e-14 -2213.3374 -2213.3374 -3383.3946 3383.3946 1960 1.8634855e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 1970 3.6527793e-15 -2213.3374 -2213.3374 -3383.3946 3383.3946 1972 7.1489085e-15 -2213.3374 -2213.3374 -3383.3946 3383.3946 Loop time of 0.196566 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33738741 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00551351 6.27102e-06 Force max component initial, final = 0.000425695 4.46243e-07 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.175596 (89.3318) Neigh time (%) = 0 (0) Comm time (%) = 0.00159121 (0.809502) Outpt time (%) = 0.00139499 (0.709678) Other time (%) = 0.0179839 (9.14904) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1650 0 -2213.3239 -2213.3239 -3386.1773 3386.1773 1660 8.4288554e-11 -2213.3239 -2213.3239 -3386.1773 3386.1773 1670 9.2412998e-10 -2213.3239 -2213.3239 -3386.1771 3386.1771 1680 4.5112345e-09 -2213.3239 -2213.3239 -3386.176 3386.176 1690 2.4218115e-08 -2213.3239 -2213.3239 -3386.1702 3386.1702 1700 9.4752875e-08 -2213.324 -2213.324 -3386.1491 3386.1491 1710 4.3947393e-07 -2213.3242 -2213.3242 -3386.0424 3386.0424 1720 1.4330632e-06 -2213.3248 -2213.3248 -3385.6781 3385.6781 1730 3.4127464e-06 -2213.3262 -2213.3262 -3384.2913 3384.2913 1740 6.0615935e-06 -2213.3286 -2213.3286 -3384.7016 3384.7016 1750 1.3009955e-05 -2213.3346 -2213.3346 -3383.4657 3383.4657 1760 6.1818469e-07 -2213.3371 -2213.3371 -3382.5743 3382.5743 1770 7.0158382e-08 -2213.3373 -2213.3373 -3383.3865 3383.3865 1780 9.6043821e-08 -2213.3373 -2213.3373 -3383.4275 3383.4275 1790 4.4667814e-08 -2213.3374 -2213.3374 -3383.2649 3383.2649 1800 6.68214e-09 -2213.3374 -2213.3374 -3383.4224 3383.4224 1810 1.2685219e-08 -2213.3374 -2213.3374 -3383.4641 3383.4641 1820 6.4663926e-09 -2213.3374 -2213.3374 -3383.3597 3383.3597 1821 7.2438561e-09 -2213.3374 -2213.3374 -3383.3861 3383.3861 Loop time of 0.169756 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32390268 -2213.33738425 -2213.33738467 Force two-norm initial, final = 0.312392 0.00278266 Force max component initial, final = 0.0388695 0.000244585 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.150218 (88.4904) Neigh time (%) = 0 (0) Comm time (%) = 0.00136399 (0.803502) Outpt time (%) = 0.00113249 (0.667127) Other time (%) = 0.0170417 (10.0389) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1821 0 -2213.3374 -2213.3374 -3383.3861 3383.3861 1822 5.4230679e-17 -2213.3374 -2213.3374 -3383.3861 3383.3861 Loop time of 0.00215316 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738467 -2213.33738467 -2213.33738467 Force two-norm initial, final = 0.00278266 0.00278266 Force max component initial, final = 0.000244585 0.000244585 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184274 (85.583) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.752962) Outpt time (%) = 0 (0) Other time (%) = 0.000294209 (13.664) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.2886 -2213.2886 -3394.8999 3394.8999 1710 1.7613681e-10 -2213.2886 -2213.2886 -3394.8999 3394.8999 1720 1.9312551e-09 -2213.2886 -2213.2886 -3394.8992 3394.8992 1730 9.4304188e-09 -2213.2887 -2213.2887 -3394.896 3394.896 1740 5.0701508e-08 -2213.2887 -2213.2887 -3394.8786 3394.8786 1750 1.9960212e-07 -2213.2888 -2213.2888 -3394.8154 3394.8154 1760 9.5251408e-07 -2213.2892 -2213.2892 -3394.4972 3394.4972 1770 3.5061247e-06 -2213.2907 -2213.2907 -3393.4306 3393.4306 1780 1.4986695e-05 -2213.2969 -2213.2969 -3389.484 3389.484 1790 3.6032459e-05 -2213.3117 -2213.3117 -3388.6901 3388.6901 1800 4.5308219e-05 -2213.3326 -2213.3326 -3383.9479 3383.9479 1810 1.2884592e-06 -2213.334 -2213.334 -3381.0288 3381.0288 1820 5.9737074e-07 -2213.3347 -2213.3347 -3382.5266 3382.5266 1830 2.5521865e-06 -2213.336 -2213.336 -3382.5658 3382.5658 1840 6.7042102e-08 -2213.3372 -2213.3372 -3382.4715 3382.4715 1850 1.9518672e-08 -2213.3373 -2213.3373 -3383.566 3383.566 1860 1.0711716e-07 -2213.3373 -2213.3373 -3383.44 3383.44 1870 9.7485898e-08 -2213.3374 -2213.3374 -3383.658 3383.658 1874 7.4500873e-09 -2213.3374 -2213.3374 -3383.4501 3383.4501 Loop time of 0.173377 on 1 procs for 174 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28864614 -2213.33738016 -2213.33738117 Force two-norm initial, final = 0.451586 0.00499743 Force max component initial, final = 0.0517507 0.000637952 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.153516 (88.5446) Neigh time (%) = 0 (0) Comm time (%) = 0.00141048 (0.813536) Outpt time (%) = 0.001127 (0.650031) Other time (%) = 0.0173235 (9.9918) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1874 0 -2213.3374 -2213.3374 -3383.4501 3383.4501 1875 1.7491189e-16 -2213.3374 -2213.3374 -3383.4501 3383.4501 Loop time of 0.00213885 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738117 -2213.33738117 -2213.33738117 Force two-norm initial, final = 0.00499743 0.00499743 Force max component initial, final = 0.000637952 0.000637952 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185299 (86.6347) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.746851) Outpt time (%) = 0 (0) Other time (%) = 0.00026989 (12.6184) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1650 0 -2213.2904 -2213.2904 -3383.9979 3383.9979 1660 3.2517147e-10 -2213.2904 -2213.2904 -3383.9979 3383.9979 1670 3.5652102e-09 -2213.2904 -2213.2904 -3383.9984 3383.9984 1680 1.7405659e-08 -2213.2904 -2213.2904 -3384.0002 3384.0002 1690 9.3486385e-08 -2213.2904 -2213.2904 -3384.0102 3384.0102 1700 3.6652147e-07 -2213.2906 -2213.2906 -3384.0463 3384.0463 1710 1.7159765e-06 -2213.2914 -2213.2914 -3384.2238 3384.2238 1720 5.8247643e-06 -2213.2939 -2213.2939 -3384.7656 3384.7656 1730 1.6631137e-05 -2213.3006 -2213.3006 -3386.0133 3386.0133 1740 2.6807636e-05 -2213.3107 -2213.3107 -3384.9084 3384.9084 1750 3.9587458e-05 -2213.33 -2213.33 -3384.1839 3384.1839 1760 3.7041901e-06 -2213.3353 -2213.3353 -3383.5466 3383.5466 1770 6.1399657e-07 -2213.3357 -2213.3357 -3383.6516 3383.6516 1780 1.1262592e-06 -2213.3363 -2213.3363 -3383.5599 3383.5599 1790 1.5962271e-07 -2213.337 -2213.337 -3383.7564 3383.7564 1800 4.0761305e-08 -2213.337 -2213.337 -3383.4078 3383.4078 1810 2.0660343e-07 -2213.3371 -2213.3371 -3383.386 3383.386 1820 4.1687831e-07 -2213.3373 -2213.3373 -3383.1483 3383.1483 1830 3.7670728e-09 -2213.3373 -2213.3373 -3383.4417 3383.4417 1832 6.269078e-09 -2213.3373 -2213.3373 -3383.4144 3383.4144 Loop time of 0.180799 on 1 procs for 182 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29035342 -2213.33734399 -2213.33734465 Force two-norm initial, final = 0.613581 0.00797302 Force max component initial, final = 0.0647895 0.000620187 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 182 182 Pair time (%) = 0.160241 (88.6292) Neigh time (%) = 0 (0) Comm time (%) = 0.00143266 (0.792403) Outpt time (%) = 0.00119686 (0.661984) Other time (%) = 0.0179288 (9.91645) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1832 0 -2213.3373 -2213.3373 -3383.4144 3383.4144 1833 4.4521665e-16 -2213.3373 -2213.3373 -3383.4144 3383.4144 Loop time of 0.002141 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734465 -2213.33734465 -2213.33734465 Force two-norm initial, final = 0.00797302 0.00797302 Force max component initial, final = 0.000620187 0.000620187 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (86.3697) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.801782) Outpt time (%) = 0 (0) Other time (%) = 0.000274658 (12.8285) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.2885 -2213.2885 -3393.6273 3393.6273 1710 1.8382646e-10 -2213.2885 -2213.2885 -3393.6273 3393.6273 1720 2.0155899e-09 -2213.2885 -2213.2885 -3393.6268 3393.6268 1730 9.8427849e-09 -2213.2885 -2213.2885 -3393.6246 3393.6246 1740 5.2933121e-08 -2213.2885 -2213.2885 -3393.6129 3393.6129 1750 2.0863155e-07 -2213.2886 -2213.2886 -3393.57 3393.57 1760 1.0006021e-06 -2213.2891 -2213.2891 -3393.3541 3393.3541 1770 3.751598e-06 -2213.2907 -2213.2907 -3392.6264 3392.6264 1780 1.6772413e-05 -2213.2974 -2213.2974 -3389.7982 3389.7982 1790 3.6340272e-05 -2213.3116 -2213.3116 -3388.2367 3388.2367 1800 4.1383153e-05 -2213.3317 -2213.3317 -3384.1502 3384.1502 1810 2.1519776e-06 -2213.3343 -2213.3343 -3382.1291 3382.1291 1820 7.9907301e-07 -2213.3347 -2213.3347 -3382.8652 3382.8652 1830 2.8751616e-06 -2213.3362 -2213.3362 -3382.6943 3382.6943 1840 7.1102985e-08 -2213.3369 -2213.3369 -3383.4235 3383.4235 1850 4.610599e-08 -2213.337 -2213.337 -3383.4083 3383.4083 1860 3.7365457e-07 -2213.3371 -2213.3371 -3383.2976 3383.2976 1870 3.6682086e-07 -2213.3374 -2213.3374 -3383.6586 3383.6586 1880 1.5825736e-09 -2213.3374 -2213.3374 -3383.3225 3383.3225 1881 2.0878444e-09 -2213.3374 -2213.3374 -3383.3731 3383.3731 Loop time of 0.179999 on 1 procs for 181 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28850602 -2213.33738566 -2213.33738589 Force two-norm initial, final = 0.461337 0.00365913 Force max component initial, final = 0.0845325 0.00040908 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.159722 (88.735) Neigh time (%) = 0 (0) Comm time (%) = 0.00143743 (0.798575) Outpt time (%) = 0.00120521 (0.669563) Other time (%) = 0.0176342 (9.79681) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1881 0 -2213.3374 -2213.3374 -3383.3731 3383.3731 1882 9.3774045e-17 -2213.3374 -2213.3374 -3383.3731 3383.3731 Loop time of 0.00213504 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738589 -2213.33738589 -2213.33738589 Force two-norm initial, final = 0.00365913 0.00365913 Force max component initial, final = 0.00040908 0.00040908 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (86.6555) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.759352) Outpt time (%) = 0 (0) Other time (%) = 0.000268698 (12.5851) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1750 0 -2213.2882 -2213.2882 -3394.5698 3394.5698 1760 1.774932e-10 -2213.2882 -2213.2882 -3394.5697 3394.5697 1770 1.9461491e-09 -2213.2882 -2213.2882 -3394.5691 3394.5691 1780 9.5037133e-09 -2213.2882 -2213.2882 -3394.5663 3394.5663 1790 5.1110445e-08 -2213.2883 -2213.2883 -3394.5512 3394.5512 1800 2.0146144e-07 -2213.2884 -2213.2884 -3394.4963 3394.4963 1810 9.6653637e-07 -2213.2888 -2213.2888 -3394.2201 3394.2201 1820 3.6306135e-06 -2213.2904 -2213.2904 -3393.293 3393.293 1830 1.6479396e-05 -2213.2969 -2213.2969 -3389.7731 3389.7731 1840 3.6945308e-05 -2213.3114 -2213.3114 -3388.3474 3388.3474 1850 4.1822303e-05 -2213.3316 -2213.3316 -3384.1539 3384.1539 1860 9.4257117e-07 -2213.3339 -2213.3339 -3380.3454 3380.3454 1870 5.1701159e-07 -2213.3349 -2213.3349 -3382.7389 3382.7389 1880 2.0407987e-06 -2213.3362 -2213.3362 -3382.3143 3382.3143 1890 4.1811427e-08 -2213.3372 -2213.3372 -3382.5545 3382.5545 1900 1.7530475e-08 -2213.3373 -2213.3373 -3383.4519 3383.4519 1910 1.1946411e-07 -2213.3373 -2213.3373 -3383.408 3383.408 1920 3.5342023e-09 -2213.3374 -2213.3374 -3383.2108 3383.2108 1922 6.6728658e-09 -2213.3374 -2213.3374 -3383.3465 3383.3465 Loop time of 0.176228 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28822947 -2213.33737189 -2213.33737263 Force two-norm initial, final = 0.453321 0.00681964 Force max component initial, final = 0.0773247 0.0007306 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.152769 (86.6884) Neigh time (%) = 0 (0) Comm time (%) = 0.00138092 (0.783599) Outpt time (%) = 0.00115585 (0.655885) Other time (%) = 0.0209219 (11.8721) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1922 0 -2213.3374 -2213.3374 -3383.3465 3383.3465 1923 3.2572381e-16 -2213.3374 -2213.3374 -3383.3465 3383.3465 Loop time of 0.00220394 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737263 -2213.33737263 -2213.33737263 Force two-norm initial, final = 0.00681964 0.00681964 Force max component initial, final = 0.0007306 0.0007306 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186896 (84.801) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.724794) Outpt time (%) = 0 (0) Other time (%) = 0.000319004 (14.4743) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.2882 -2213.2882 -3395.5242 3395.5242 1810 1.7623222e-10 -2213.2882 -2213.2882 -3395.5242 3395.5242 1820 1.9323191e-09 -2213.2882 -2213.2882 -3395.5234 3395.5234 1830 9.4360814e-09 -2213.2882 -2213.2882 -3395.52 3395.52 1840 5.0744172e-08 -2213.2882 -2213.2882 -3395.5014 3395.5014 1850 1.9997618e-07 -2213.2883 -2213.2883 -3395.4337 3395.4337 1860 9.5854836e-07 -2213.2888 -2213.2888 -3395.0932 3395.0932 1870 3.5899885e-06 -2213.2903 -2213.2903 -3393.9527 3393.9527 1880 1.627482e-05 -2213.2968 -2213.2968 -3389.6857 3389.6857 1890 3.7301146e-05 -2213.3114 -2213.3114 -3388.4494 3388.4494 1900 4.1935908e-05 -2213.3317 -2213.3317 -3384.1455 3384.1455 1910 2.0627413e-06 -2213.3343 -2213.3343 -3381.7569 3381.7569 1920 8.3401267e-07 -2213.3347 -2213.3347 -3382.9585 3382.9585 1930 2.9324772e-06 -2213.3362 -2213.3362 -3382.4607 3382.4607 1940 8.4654282e-08 -2213.3369 -2213.3369 -3383.4349 3383.4349 1950 4.776711e-08 -2213.3369 -2213.3369 -3383.3978 3383.3978 1960 3.7560805e-07 -2213.3371 -2213.3371 -3383.2198 3383.2198 1970 3.7117247e-07 -2213.3374 -2213.3374 -3383.756 3383.756 1980 3.4049718e-09 -2213.3374 -2213.3374 -3383.2716 3383.2716 1981 4.2383146e-09 -2213.3374 -2213.3374 -3383.3553 3383.3553 Loop time of 0.186222 on 1 procs for 181 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28819682 -2213.33738529 -2213.33738567 Force two-norm initial, final = 0.451708 0.00393386 Force max component initial, final = 0.0699404 0.000473916 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.160828 (86.3634) Neigh time (%) = 0 (0) Comm time (%) = 0.00144529 (0.776113) Outpt time (%) = 0.00122023 (0.655253) Other time (%) = 0.0227289 (12.2053) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1981 0 -2213.3374 -2213.3374 -3383.3553 3383.3553 1982 1.0838361e-16 -2213.3374 -2213.3374 -3383.3553 3383.3553 Loop time of 0.00213885 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738567 -2213.33738567 -2213.33738567 Force two-norm initial, final = 0.00393386 0.00393386 Force max component initial, final = 0.000473916 0.000473916 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184822 (86.4118) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.746851) Outpt time (%) = 0 (0) Other time (%) = 0.000274658 (12.8414) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.2899 -2213.2899 -3395.9363 3395.9363 1860 1.8824787e-10 -2213.2899 -2213.2899 -3395.9362 3395.9362 1870 2.0640471e-09 -2213.2899 -2213.2899 -3395.9353 3395.9353 1880 1.0078864e-08 -2213.2899 -2213.2899 -3395.9315 3395.9315 1890 5.4187895e-08 -2213.2899 -2213.2899 -3395.9106 3395.9106 1900 2.1333467e-07 -2213.29 -2213.29 -3395.8344 3395.8344 1910 1.0180321e-06 -2213.2905 -2213.2905 -3395.451 3395.451 1920 3.7473827e-06 -2213.2921 -2213.2921 -3394.1659 3394.1659 1930 1.6063922e-05 -2213.2984 -2213.2984 -3389.3693 3389.3693 1940 3.595212e-05 -2213.3125 -2213.3125 -3388.4214 3388.4214 1950 4.0353056e-05 -2213.3322 -2213.3322 -3384.0285 3384.0285 1960 2.0900944e-06 -2213.3344 -2213.3344 -3381.443 3381.443 1970 8.2510451e-07 -2213.3348 -2213.3348 -3382.9771 3382.9771 1980 2.8071336e-06 -2213.3362 -2213.3362 -3382.318 3382.318 1990 9.8665818e-08 -2213.3369 -2213.3369 -3383.4363 3383.4363 2000 4.6254698e-08 -2213.337 -2213.337 -3383.3877 3383.3877 2010 3.4776093e-07 -2213.3372 -2213.3372 -3383.1535 3383.1535 2020 3.4956322e-07 -2213.3374 -2213.3374 -3383.747 3383.747 2030 6.9913967e-09 -2213.3374 -2213.3374 -3383.2284 3383.2284 2031 8.4510543e-09 -2213.3374 -2213.3374 -3383.3431 3383.3431 Loop time of 0.180184 on 1 procs for 181 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28985688 -2213.33738481 -2213.33738545 Force two-norm initial, final = 0.466853 0.00419611 Force max component initial, final = 0.0685554 0.000580546 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.159552 (88.5492) Neigh time (%) = 0 (0) Comm time (%) = 0.00146699 (0.814161) Outpt time (%) = 0.00121593 (0.674829) Other time (%) = 0.0179496 (9.9618) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2031 0 -2213.3374 -2213.3374 -3383.3431 3383.3431 2032 1.2331587e-16 -2213.3374 -2213.3374 -3383.3431 3383.3431 Loop time of 0.0021379 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738545 -2213.33738545 -2213.33738545 Force two-norm initial, final = 0.00419611 0.00419611 Force max component initial, final = 0.000580546 0.000580546 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186181 (87.086) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.802944) Outpt time (%) = 0 (0) Other time (%) = 0.000258923 (12.1111) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1900 0 -2213.2887 -2213.2887 -3394.8138 3394.8138 1910 1.7905479e-10 -2213.2887 -2213.2887 -3394.8137 3394.8137 1920 1.9632476e-09 -2213.2887 -2213.2887 -3394.813 3394.813 1930 9.5866134e-09 -2213.2887 -2213.2887 -3394.81 3394.81 1940 5.1540259e-08 -2213.2887 -2213.2887 -3394.7933 3394.7933 1950 2.0289485e-07 -2213.2888 -2213.2888 -3394.7326 3394.7326 1960 9.6795888e-07 -2213.2893 -2213.2893 -3394.4269 3394.4269 1970 3.5664973e-06 -2213.2908 -2213.2908 -3393.3985 3393.3985 1980 1.5846645e-05 -2213.2971 -2213.2971 -3389.5309 3389.5309 1990 3.9202197e-05 -2213.3125 -2213.3125 -3388.6849 3388.6849 2000 4.172563e-05 -2213.3326 -2213.3326 -3383.6198 3383.6198 2010 2.0082097e-06 -2213.3343 -2213.3343 -3381.4971 3381.4971 2020 9.110794e-07 -2213.3348 -2213.3348 -3382.8342 3382.8342 2030 3.0346665e-06 -2213.3363 -2213.3363 -3382.3681 3382.3681 2040 8.8951148e-08 -2213.3369 -2213.3369 -3383.212 3383.212 2050 3.1480074e-07 -2213.3371 -2213.3371 -3383.9076 3383.9076 2060 5.3605268e-08 -2213.3373 -2213.3373 -3383.7598 3383.7598 2070 2.3357824e-08 -2213.3373 -2213.3373 -3383.296 3383.296 2080 1.1139111e-07 -2213.3373 -2213.3373 -3383.6227 3383.6227 2087 1.9494699e-08 -2213.3373 -2213.3373 -3383.4073 3383.4073 Loop time of 0.185696 on 1 procs for 187 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28870784 -2213.33734852 -2213.33734994 Force two-norm initial, final = 0.455311 0.0070539 Force max component initial, final = 0.0524376 0.000475323 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 187 187 Pair time (%) = 0.164719 (88.7034) Neigh time (%) = 0 (0) Comm time (%) = 0.00148201 (0.798084) Outpt time (%) = 0.00120521 (0.649021) Other time (%) = 0.01829 (9.84946) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2087 0 -2213.3373 -2213.3373 -3383.4073 3383.4073 2088 3.48486e-16 -2213.3373 -2213.3373 -3383.4073 3383.4073 Loop time of 0.002141 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734994 -2213.33734994 -2213.33734994 Force two-norm initial, final = 0.0070539 0.0070539 Force max component initial, final = 0.000475323 0.000475323 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018568 (86.7261) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.790646) Outpt time (%) = 0 (0) Other time (%) = 0.000267267 (12.4833) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.3083 -2213.3083 -3384.0321 3384.0321 1710 1.5731887e-10 -2213.3083 -2213.3083 -3384.0321 3384.0321 1720 1.7248712e-09 -2213.3083 -2213.3083 -3384.0323 3384.0323 1730 8.4212867e-09 -2213.3083 -2213.3083 -3384.033 3384.033 1740 4.5239509e-08 -2213.3083 -2213.3083 -3384.0373 3384.0373 1750 1.7750749e-07 -2213.3084 -2213.3084 -3384.0529 3384.0529 1760 8.3420022e-07 -2213.3088 -2213.3088 -3384.129 3384.129 1770 2.8846365e-06 -2213.31 -2213.31 -3384.3554 3384.3554 1780 9.4000369e-06 -2213.3139 -2213.3139 -3384.7844 3384.7844 1790 1.706912e-05 -2213.321 -2213.321 -3383.9207 3383.9207 1800 2.5249069e-05 -2213.3324 -2213.3324 -3383.238 3383.238 1810 1.6751945e-06 -2213.3355 -2213.3355 -3384.0028 3384.0028 1820 6.8385236e-07 -2213.3358 -2213.3358 -3383.9163 3383.9163 1830 1.4873023e-06 -2213.3366 -2213.3366 -3383.62 3383.62 1840 5.2343858e-08 -2213.3371 -2213.3371 -3383.4586 3383.4586 1850 6.77409e-08 -2213.3372 -2213.3372 -3383.2543 3383.2543 1860 2.1331795e-07 -2213.3373 -2213.3373 -3383.3148 3383.3148 1870 1.4883088e-08 -2213.3373 -2213.3373 -3383.3886 3383.3886 1880 1.7248334e-08 -2213.3374 -2213.3374 -3383.4452 3383.4452 1882 2.2128494e-08 -2213.3374 -2213.3374 -3383.4331 3383.4331 Loop time of 0.178704 on 1 procs for 182 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3082919 -2213.33735691 -2213.33735809 Force two-norm initial, final = 0.426782 0.00849827 Force max component initial, final = 0.0429426 0.000694099 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 182 182 Pair time (%) = 0.159928 (89.493) Neigh time (%) = 0 (0) Comm time (%) = 0.00146508 (0.819837) Outpt time (%) = 0.00119638 (0.669478) Other time (%) = 0.016115 (9.01768) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1882 0 -2213.3374 -2213.3374 -3383.4331 3383.4331 1883 5.0580924e-16 -2213.3374 -2213.3374 -3383.4331 3383.4331 Loop time of 0.00213003 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735809 -2213.33735809 -2213.33735809 Force two-norm initial, final = 0.00849827 0.00849827 Force max component initial, final = 0.000694099 0.000694099 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (86.904) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.749944) Outpt time (%) = 0 (0) Other time (%) = 0.000262976 (12.3461) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1750 0 -2213.3267 -2213.3267 -3384.6823 3384.6823 1760 5.4181076e-11 -2213.3267 -2213.3267 -3384.6823 3384.6823 1770 5.9404706e-10 -2213.3267 -2213.3267 -3384.6823 3384.6823 1780 2.900232e-09 -2213.3267 -2213.3267 -3384.6823 3384.6823 1790 1.5577952e-08 -2213.3267 -2213.3267 -3384.6819 3384.6819 1800 6.1095713e-08 -2213.3267 -2213.3267 -3384.6806 3384.6806 1810 2.8627467e-07 -2213.3269 -2213.3269 -3384.6735 3384.6735 1820 9.7657513e-07 -2213.3273 -2213.3273 -3384.6431 3384.6431 1830 2.9358374e-06 -2213.3285 -2213.3285 -3384.4605 3384.4605 1840 6.8184037e-06 -2213.3308 -2213.3308 -3384.4055 3384.4055 1850 1.4126718e-07 -2213.3335 -2213.3335 -3383.7913 3383.7913 1860 1.7006663e-06 -2213.3343 -2213.3343 -3383.7908 3383.7908 1870 1.2097303e-07 -2213.3361 -2213.3361 -3383.6149 3383.6149 1880 4.5578059e-09 -2213.3365 -2213.3365 -3383.5349 3383.5349 1890 3.1099048e-07 -2213.3366 -2213.3366 -3383.442 3383.442 1900 5.4670681e-09 -2213.337 -2213.337 -3383.3954 3383.3954 1910 1.904652e-07 -2213.3371 -2213.3371 -3383.4421 3383.4421 1920 2.728737e-08 -2213.3372 -2213.3372 -3383.4097 3383.4097 1930 1.3458873e-08 -2213.3373 -2213.3373 -3383.4043 3383.4043 1940 3.8934592e-08 -2213.3373 -2213.3373 -3383.407 3383.407 1950 1.3395187e-07 -2213.3373 -2213.3373 -3383.4021 3383.4021 Loop time of 0.199142 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.32670816 -2213.33732473 -2213.33733405 Force two-norm initial, final = 0.250461 0.0401254 Force max component initial, final = 0.0268979 0.00257163 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.175105 (87.9299) Neigh time (%) = 0 (0) Comm time (%) = 0.00157237 (0.789573) Outpt time (%) = 0.00132895 (0.667336) Other time (%) = 0.0211353 (10.6132) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.3373 -2213.3373 -3383.4021 3383.4021 1960 1.3906083e-12 -2213.3373 -2213.3373 -3383.4021 3383.4021 1970 1.5246029e-11 -2213.3373 -2213.3373 -3383.4021 3383.4021 1980 7.4415595e-11 -2213.3373 -2213.3373 -3383.4021 3383.4021 1990 3.992098e-10 -2213.3373 -2213.3373 -3383.4021 3383.4021 2000 1.5578861e-09 -2213.3373 -2213.3373 -3383.4021 3383.4021 2010 7.1268411e-09 -2213.3373 -2213.3373 -3383.4021 3383.4021 2020 2.1958198e-08 -2213.3373 -2213.3373 -3383.4017 3383.4017 2030 2.0907843e-08 -2213.3374 -2213.3374 -3383.3962 3383.3962 2040 2.1122635e-08 -2213.3374 -2213.3374 -3383.3963 3383.3963 2050 3.086201e-08 -2213.3374 -2213.3374 -3383.3894 3383.3894 2060 5.1052333e-07 -2213.3373 -2213.3373 -3383.3668 3383.3668 2070 0.0021983566 -2211.6158 -2211.6158 -3132.1562 3132.1562 2080 0.0010030576 -2213.3349 -2213.3349 -3383.0481 3383.0481 2090 4.3264695e-05 -2213.3356 -2213.3356 -3383.0445 3383.0445 2100 2.442377e-05 -2213.3371 -2213.3371 -3383.3193 3383.3193 2110 7.6810688e-05 -2213.3313 -2213.3313 -3382.6127 3382.6127 2120 0.00052340408 -2213.3362 -2213.3362 -3383.2404 3383.2404 2130 7.2230496e-05 -2213.3248 -2213.3248 -3381.466 3381.466 2140 2.7149688e-06 -2213.2944 -2213.2944 -3377.2844 3377.2844 2150 0.00059443483 -2213.1226 -2213.1226 -3352.4931 3352.4931 Loop time of 0.200035 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33733405 -2212.95704562 -2213.12260669 Force two-norm initial, final = 0.0401254 3.95006 Force max component initial, final = 0.00257163 0.214944 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.174461 (87.2151) Neigh time (%) = 0 (0) Comm time (%) = 0.00157928 (0.789504) Outpt time (%) = 0.00134778 (0.673772) Other time (%) = 0.0226471 (11.3216) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.2525 -2213.2525 -3392.9731 3392.9731 1810 4.4985883e-10 -2213.2525 -2213.2525 -3392.9731 3392.9731 1820 4.9323663e-09 -2213.2525 -2213.2525 -3392.9733 3392.9733 1830 2.4082271e-08 -2213.2525 -2213.2525 -3392.9741 3392.9741 1840 1.2939735e-07 -2213.2526 -2213.2526 -3392.9783 3392.9783 1850 5.0822107e-07 -2213.2528 -2213.2528 -3392.9935 3392.9935 1860 2.3966695e-06 -2213.2539 -2213.2539 -3393.065 3393.065 1870 8.3735354e-06 -2213.2575 -2213.2575 -3393.2384 3393.2384 1880 2.566314e-05 -2213.2679 -2213.2679 -3392.8371 3392.8371 1890 5.1068342e-05 -2213.2849 -2213.2849 -3389.5957 3389.5957 1900 9.6529303e-07 -2213.3077 -2213.3077 -3387.3359 3387.3359 1910 1.2157692e-05 -2213.3136 -2213.3136 -3386.1323 3386.1323 1920 3.0494319e-05 -2213.3339 -2213.3339 -3383.6939 3383.6939 1930 2.6621489e-07 -2213.3356 -2213.3356 -3383.2501 3383.2501 1940 1.0940607e-06 -2213.3362 -2213.3362 -3383.377 3383.377 1950 2.4149185e-07 -2213.3363 -2213.3363 -3383.4466 3383.4466 1960 7.4881104e-08 -2213.3367 -2213.3367 -3383.3708 3383.3708 1970 2.5424309e-08 -2213.3367 -2213.3367 -3383.4288 3383.4288 1980 2.4678315e-07 -2213.3369 -2213.3369 -3383.4002 3383.4002 1990 6.0771676e-07 -2213.3372 -2213.3372 -3383.3921 3383.3921 2000 1.2605414e-09 -2213.3373 -2213.3373 -3383.4053 3383.4053 Loop time of 0.200839 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.25247142 -2213.33728083 -2213.33728118 Force two-norm initial, final = 0.721695 0.0131731 Force max component initial, final = 0.09625 0.0011228 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.175102 (87.185) Neigh time (%) = 0 (0) Comm time (%) = 0.00161171 (0.802488) Outpt time (%) = 0.00134516 (0.669769) Other time (%) = 0.0227807 (11.3427) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.3373 -2213.3373 -3383.4053 3383.4053 2010 1.4988181e-13 -2213.3373 -2213.3373 -3383.4053 3383.4053 2020 1.6434025e-12 -2213.3373 -2213.3373 -3383.4053 3383.4053 2030 8.025437e-12 -2213.3373 -2213.3373 -3383.4053 3383.4053 2040 4.3162629e-11 -2213.3373 -2213.3373 -3383.4053 3383.4053 2050 1.7020479e-10 -2213.3373 -2213.3373 -3383.4054 3383.4054 2060 8.1768741e-10 -2213.3373 -2213.3373 -3383.4059 3383.4059 2070 3.1082839e-09 -2213.3373 -2213.3373 -3383.4074 3383.4074 2080 1.4120787e-08 -2213.3373 -2213.3373 -3383.4121 3383.4121 2090 3.9795266e-08 -2213.3373 -2213.3373 -3383.4079 3383.4079 2100 1.0502164e-07 -2213.3374 -2213.3374 -3383.4002 3383.4002 2110 3.7862332e-08 -2213.3374 -2213.3374 -3383.3651 3383.3651 2120 4.8074438e-05 -2213.3142 -2213.3142 -3382.3105 3382.3105 2130 5.0141385e-05 -2213.2664 -2213.2664 -3373.0932 3373.0932 2140 6.5238623e-05 -2213.2793 -2213.2793 -3370.6102 3370.6102 2150 7.6103905e-05 -2213.3169 -2213.3169 -3383.6905 3383.6905 2160 3.3549338e-05 -2213.3236 -2213.3236 -3377.935 3377.935 2170 1.1486027e-05 -2213.3308 -2213.3308 -3382.5451 3382.5451 2180 1.1145424e-05 -2213.3343 -2213.3343 -3384.2057 3384.2057 2190 1.4109524e-05 -2213.337 -2213.337 -3384.121 3384.121 2200 2.2414997e-06 -2213.3372 -2213.3372 -3383.1497 3383.1497 Loop time of 0.24141 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33728118 -2213.33722327 -2213.33719181 Force two-norm initial, final = 0.0131731 0.116641 Force max component initial, final = 0.0011228 0.00928705 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.174086 (72.1122) Neigh time (%) = 0 (0) Comm time (%) = 0.00159431 (0.660414) Outpt time (%) = 0.00132823 (0.550197) Other time (%) = 0.0644014 (26.6772) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1750 0 -2213.2325 -2213.2325 -3383.8766 3383.8766 1760 2.7616267e-10 -2213.2325 -2213.2325 -3383.8767 3383.8767 1770 3.027999e-09 -2213.2325 -2213.2325 -3383.8778 3383.8778 1780 1.4785943e-08 -2213.2325 -2213.2325 -3383.8826 3383.8826 1790 7.9499255e-08 -2213.2326 -2213.2326 -3383.9088 3383.9088 1800 3.1298337e-07 -2213.2327 -2213.2327 -3384.0044 3384.0044 1810 1.494469e-06 -2213.2334 -2213.2334 -3384.4834 3384.4834 1820 5.4648979e-06 -2213.2358 -2213.2358 -3386.0671 3386.0671 1830 2.1413301e-05 -2213.2453 -2213.2453 -3391.787 3391.787 1840 4.9124535e-05 -2213.2649 -2213.2649 -3393.3398 3393.3398 1850 0.00011651605 -2213.3176 -2213.3176 -3385.1453 3385.1453 1860 5.0035615e-07 -2213.3365 -2213.3365 -3383.4247 3383.4247 1870 1.9491807e-07 -2213.3368 -2213.3368 -3383.3753 3383.3753 1880 3.9286921e-07 -2213.337 -2213.337 -3383.3745 3383.3745 1890 3.3579645e-08 -2213.3372 -2213.3372 -3383.2569 3383.2569 1900 1.4973044e-08 -2213.3372 -2213.3372 -3383.3303 3383.3303 1910 1.1569344e-07 -2213.3373 -2213.3373 -3383.4368 3383.4368 1913 1.533903e-07 -2213.3373 -2213.3373 -3383.4036 3383.4036 Loop time of 0.163834 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.23252773 -2213.33732116 -2213.33733231 Force two-norm initial, final = 0.565454 0.00957009 Force max component initial, final = 0.0740597 0.000785422 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.143929 (87.8506) Neigh time (%) = 0 (0) Comm time (%) = 0.00129771 (0.79209) Outpt time (%) = 0.00105596 (0.644528) Other time (%) = 0.0175512 (10.7128) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1913 0 -2213.3373 -2213.3373 -3383.4036 3383.4036 1920 3.2335153e-14 -2213.3373 -2213.3373 -3383.4036 3383.4036 1930 4.4652811e-13 -2213.3373 -2213.3373 -3383.4036 3383.4036 1940 2.6712539e-12 -2213.3373 -2213.3373 -3383.4036 3383.4036 1950 1.3502993e-11 -2213.3373 -2213.3373 -3383.4036 3383.4036 1960 5.9468046e-11 -2213.3373 -2213.3373 -3383.4036 3383.4036 1970 2.636778e-10 -2213.3373 -2213.3373 -3383.4036 3383.4036 1980 1.0992333e-09 -2213.3373 -2213.3373 -3383.4033 3383.4033 1990 4.6766816e-09 -2213.3373 -2213.3373 -3383.4021 3383.4021 2000 1.6632266e-08 -2213.3373 -2213.3373 -3383.3974 3383.3974 2010 4.8544209e-08 -2213.3374 -2213.3374 -3383.3875 3383.3875 2020 6.4104268e-12 -2213.3374 -2213.3374 -3383.3995 3383.3995 2030 2.685826e-10 -2213.3374 -2213.3374 -3383.3954 3383.3954 2040 3.6594936e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2050 1.6784142e-11 -2213.3374 -2213.3374 -3383.3947 3383.3947 2060 5.3185431e-11 -2213.3374 -2213.3374 -3383.3951 3383.3951 2070 1.1481825e-14 -2213.3374 -2213.3374 -3383.3947 3383.3947 2080 1.4340179e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2090 7.3026909e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2100 2.9789412e-14 -2213.3374 -2213.3374 -3383.3945 3383.3945 2110 6.1422901e-14 -2213.3374 -2213.3374 -3383.3946 3383.3946 2113 6.6880161e-14 -2213.3374 -2213.3374 -3383.3946 3383.3946 Loop time of 0.200194 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33733231 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00957009 2.36789e-05 Force max component initial, final = 0.000785422 1.66827e-06 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.174287 (87.059) Neigh time (%) = 0 (0) Comm time (%) = 0.00161147 (0.804954) Outpt time (%) = 0.00139189 (0.695269) Other time (%) = 0.0229037 (11.4407) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.2985 -2213.2985 -3389.6701 3389.6701 1810 8.1696449e-11 -2213.2985 -2213.2985 -3389.6701 3389.6701 1820 8.9575901e-10 -2213.2985 -2213.2985 -3389.6699 3389.6699 1830 4.3740158e-09 -2213.2985 -2213.2985 -3389.6691 3389.6691 1840 2.3514738e-08 -2213.2986 -2213.2986 -3389.6646 3389.6646 1850 9.2567712e-08 -2213.2986 -2213.2986 -3389.6484 3389.6484 1860 4.4114984e-07 -2213.2988 -2213.2988 -3389.566 3389.566 1870 1.6200351e-06 -2213.2995 -2213.2995 -3389.2786 3389.2786 1880 6.9267142e-06 -2213.3022 -2213.3022 -3388.0439 3388.0439 1890 2.3081563e-05 -2213.3101 -2213.3101 -3387.0324 3387.0324 1900 3.7686381e-07 -2213.3215 -2213.3215 -3385.2957 3385.2957 1910 6.5779148e-06 -2213.3246 -2213.3246 -3385.0295 3385.0295 1920 1.559642e-05 -2213.3355 -2213.3355 -3383.5908 3383.5908 1930 9.1749027e-08 -2213.3364 -2213.3364 -3383.4101 3383.4101 1940 5.2092457e-07 -2213.3367 -2213.3367 -3383.3617 3383.3617 1950 1.3577236e-07 -2213.3368 -2213.3368 -3383.3976 3383.3976 1960 3.749618e-08 -2213.337 -2213.337 -3383.3972 3383.3972 1970 1.4688763e-08 -2213.337 -2213.337 -3383.4057 3383.4057 1980 1.4045464e-07 -2213.3371 -2213.3371 -3383.4033 3383.4033 1990 3.1618777e-07 -2213.3373 -2213.3373 -3383.4029 3383.4029 2000 1.1600895e-09 -2213.3373 -2213.3373 -3383.3983 3383.3983 Loop time of 0.197562 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.29853768 -2213.3373398 -2213.33734011 Force two-norm initial, final = 0.307551 0.0110391 Force max component initial, final = 0.0277577 0.000865135 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.174895 (88.5266) Neigh time (%) = 0 (0) Comm time (%) = 0.00160694 (0.813386) Outpt time (%) = 0.00134611 (0.681362) Other time (%) = 0.0197141 (9.9787) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.3373 -2213.3373 -3383.3983 3383.3983 2010 1.0525277e-13 -2213.3373 -2213.3373 -3383.3983 3383.3983 2020 1.1540241e-12 -2213.3373 -2213.3373 -3383.3983 3383.3983 2030 5.634758e-12 -2213.3373 -2213.3373 -3383.3983 3383.3983 2040 3.0281224e-11 -2213.3373 -2213.3373 -3383.3983 3383.3983 2050 1.1905129e-10 -2213.3373 -2213.3373 -3383.3984 3383.3984 2060 5.6383846e-10 -2213.3373 -2213.3373 -3383.3989 3383.3989 2070 2.0539566e-09 -2213.3373 -2213.3373 -3383.4006 3383.4006 2080 9.2583032e-09 -2213.3373 -2213.3373 -3383.4057 3383.4057 2089 1.5299626e-08 -2213.3374 -2213.3374 -3383.403 3383.403 Loop time of 0.0884271 on 1 procs for 89 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734011 -2213.33735017 -2213.33735125 Force two-norm initial, final = 0.0110391 0.00665603 Force max component initial, final = 0.000865135 0.000441733 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 89 89 Pair time (%) = 0.0783184 (88.5683) Neigh time (%) = 0 (0) Comm time (%) = 0.000710249 (0.803203) Outpt time (%) = 0.000539541 (0.610154) Other time (%) = 0.00885892 (10.0183) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.2668 -2213.2668 -3393.1148 3393.1148 1860 1.9178452e-10 -2213.2668 -2213.2668 -3393.1148 3393.1148 1870 2.1028402e-09 -2213.2668 -2213.2668 -3393.1146 3393.1146 1880 1.0268807e-08 -2213.2668 -2213.2668 -3393.1137 3393.1137 1890 5.5220593e-08 -2213.2668 -2213.2668 -3393.1087 3393.1087 1900 2.1763423e-07 -2213.2669 -2213.2669 -3393.0906 3393.0906 1910 1.0423743e-06 -2213.2674 -2213.2674 -3392.9979 3392.9979 1920 3.8906985e-06 -2213.2691 -2213.2691 -3392.6656 3392.6656 1930 1.6155528e-05 -2213.2754 -2213.2754 -3391.0308 3391.0308 1940 3.9789193e-05 -2213.2892 -2213.2892 -3388.5847 3388.5847 1950 6.7339896e-07 -2213.3092 -2213.3092 -3386.5836 3386.5836 1960 1.1585091e-05 -2213.3147 -2213.3147 -3385.9282 3385.9282 1970 2.8000946e-05 -2213.3342 -2213.3342 -3383.7283 3383.7283 1980 5.0426962e-08 -2213.3358 -2213.3358 -3383.4542 3383.4542 1990 6.7466757e-07 -2213.3362 -2213.3362 -3383.4498 3383.4498 2000 2.0958369e-07 -2213.3364 -2213.3364 -3383.474 3383.474 2010 2.8819699e-08 -2213.3367 -2213.3367 -3383.4206 3383.4206 2020 1.9275226e-08 -2213.3368 -2213.3368 -3383.4409 3383.4409 2030 2.2717995e-07 -2213.3369 -2213.3369 -3383.4299 3383.4299 2040 5.3339255e-07 -2213.3372 -2213.3372 -3383.4059 3383.4059 2050 3.4693015e-08 -2213.3373 -2213.3373 -3383.3965 3383.3965 Loop time of 0.195968 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.26677965 -2213.33728802 -2213.33729312 Force two-norm initial, final = 0.471218 0.0108897 Force max component initial, final = 0.0964744 0.000753178 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.175083 (89.3427) Neigh time (%) = 0 (0) Comm time (%) = 0.00161481 (0.824016) Outpt time (%) = 0.00132465 (0.675954) Other time (%) = 0.0179455 (9.15737) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.3373 -2213.3373 -3383.3965 3383.3965 2060 1.024242e-13 -2213.3373 -2213.3373 -3383.3965 3383.3965 2070 1.1230932e-12 -2213.3373 -2213.3373 -3383.3965 3383.3965 2080 5.4858189e-12 -2213.3373 -2213.3373 -3383.3965 3383.3965 2090 2.9536608e-11 -2213.3373 -2213.3373 -3383.3966 3383.3966 2100 1.1704588e-10 -2213.3373 -2213.3373 -3383.3967 3383.3967 2110 5.7427498e-10 -2213.3373 -2213.3373 -3383.3975 3383.3975 2120 2.3986645e-09 -2213.3373 -2213.3373 -3383.4 3383.4 2130 1.4907906e-08 -2213.3373 -2213.3373 -3383.4079 3383.4079 2139 3.0144818e-08 -2213.3373 -2213.3373 -3383.4044 3383.4044 Loop time of 0.0879011 on 1 procs for 89 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33729312 -2213.33731094 -2213.33731305 Force two-norm initial, final = 0.0108897 0.0094118 Force max component initial, final = 0.000753178 0.000604305 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 89 89 Pair time (%) = 0.0789642 (89.833) Neigh time (%) = 0 (0) Comm time (%) = 0.000726938 (0.826995) Outpt time (%) = 0.000527143 (0.599701) Other time (%) = 0.0076828 (8.74028) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.3045 -2213.3045 -3397.6575 3397.6575 1810 1.3789873e-10 -2213.3045 -2213.3045 -3397.6573 3397.6573 1820 1.5119687e-09 -2213.3045 -2213.3045 -3397.6555 3397.6555 1830 7.3822813e-09 -2213.3046 -2213.3046 -3397.6479 3397.6479 1840 3.9672379e-08 -2213.3046 -2213.3046 -3397.6061 3397.6061 1850 1.5584463e-07 -2213.3046 -2213.3046 -3397.454 3397.454 1860 7.3731228e-07 -2213.305 -2213.305 -3396.6922 3396.6922 1870 2.5999041e-06 -2213.3062 -2213.3062 -3394.1846 3394.1846 1880 9.4383976e-06 -2213.3104 -2213.3104 -3385.4051 3385.4051 1890 2.4507641e-05 -2213.3202 -2213.3202 -3385.8815 3385.8815 1900 2.9298041e-05 -2213.3332 -2213.3332 -3384.8769 3384.8769 1910 9.343264e-07 -2213.336 -2213.336 -3388.2627 3388.2627 1920 1.1012718e-07 -2213.3368 -2213.3368 -3387.8022 3387.8022 1930 7.3638284e-07 -2213.3372 -2213.3372 -3382.6599 3382.6599 1940 8.368028e-08 -2213.3372 -2213.3372 -3381.3327 3381.3327 1950 4.4423763e-08 -2213.3373 -2213.3373 -3384.5657 3384.5657 1960 9.8981937e-08 -2213.3373 -2213.3373 -3382.55 3382.55 1970 2.2857223e-08 -2213.3374 -2213.3374 -3383.3043 3383.3043 1980 5.6675196e-08 -2213.3374 -2213.3374 -3383.8922 3383.8922 1987 4.6664832e-08 -2213.3374 -2213.3374 -3383.4113 3383.4113 Loop time of 0.185138 on 1 procs for 187 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30454791 -2213.33738473 -2213.33738595 Force two-norm initial, final = 0.399572 0.00529531 Force max component initial, final = 0.0884399 0.000362017 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 187 187 Pair time (%) = 0.164868 (89.0512) Neigh time (%) = 0 (0) Comm time (%) = 0.00147223 (0.795209) Outpt time (%) = 0.00119567 (0.645826) Other time (%) = 0.0176024 (9.50774) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1987 0 -2213.3374 -2213.3374 -3383.4113 3383.4113 1988 1.9638524e-16 -2213.3374 -2213.3374 -3383.4113 3383.4113 Loop time of 0.0021112 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738595 -2213.33738595 -2213.33738595 Force two-norm initial, final = 0.00529531 0.00529531 Force max component initial, final = 0.000362017 0.000362017 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184822 (87.5438) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.767928) Outpt time (%) = 0 (0) Other time (%) = 0.000246763 (11.6883) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.3051 -2213.3051 -3384.6926 3384.6926 1860 2.2026309e-10 -2213.3051 -2213.3051 -3384.6926 3384.6926 1870 2.4150624e-09 -2213.3051 -2213.3051 -3384.6926 3384.6926 1880 1.1792606e-08 -2213.3051 -2213.3051 -3384.6928 3384.6928 1890 6.339174e-08 -2213.3052 -2213.3052 -3384.6935 3384.6935 1900 2.4944746e-07 -2213.3053 -2213.3053 -3384.6962 3384.6962 1910 1.186355e-06 -2213.3059 -2213.3059 -3384.709 3384.709 1920 4.290202e-06 -2213.3077 -2213.3077 -3384.7429 3384.7429 1930 1.4826669e-05 -2213.3136 -2213.3136 -3384.7602 3384.7602 1940 2.2481867e-05 -2213.3214 -2213.3214 -3385.0949 3385.0949 1950 4.0524628e-07 -2213.3288 -2213.3288 -3383.5473 3383.5473 1960 3.5871254e-06 -2213.3306 -2213.3306 -3384.2575 3384.2575 1970 8.7880566e-06 -2213.3362 -2213.3362 -3383.4953 3383.4953 1980 1.1300848e-07 -2213.3368 -2213.3368 -3383.663 3383.663 1990 3.9126046e-07 -2213.337 -2213.337 -3383.4452 3383.4452 2000 8.0326881e-08 -2213.3371 -2213.3371 -3383.3704 3383.3704 2010 4.4603497e-08 -2213.3372 -2213.3372 -3383.4713 3383.4713 2020 1.1371976e-08 -2213.3372 -2213.3372 -3383.3986 3383.3986 2030 8.030194e-08 -2213.3372 -2213.3372 -3383.4319 3383.4319 2040 2.0007017e-07 -2213.3373 -2213.3373 -3383.4241 3383.4241 2050 1.0606066e-09 -2213.3374 -2213.3374 -3383.4012 3383.4012 Loop time of 0.198935 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.30513354 -2213.33735395 -2213.33735423 Force two-norm initial, final = 0.504994 0.0115915 Force max component initial, final = 0.0723078 0.000901001 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.175213 (88.0754) Neigh time (%) = 0 (0) Comm time (%) = 0.00159216 (0.800341) Outpt time (%) = 0.00132751 (0.667311) Other time (%) = 0.0208025 (10.4569) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.3374 -2213.3374 -3383.4012 3383.4012 2060 1.1604997e-13 -2213.3374 -2213.3374 -3383.4012 3383.4012 2070 1.2723638e-12 -2213.3374 -2213.3374 -3383.4012 3383.4012 2080 6.2113659e-12 -2213.3374 -2213.3374 -3383.4012 3383.4012 2090 3.3349207e-11 -2213.3374 -2213.3374 -3383.4012 3383.4012 2100 1.3056858e-10 -2213.3374 -2213.3374 -3383.4011 3383.4011 2110 6.0715199e-10 -2213.3374 -2213.3374 -3383.4007 3383.4007 2120 2.0118502e-09 -2213.3374 -2213.3374 -3383.3994 3383.3994 2130 5.2957628e-09 -2213.3374 -2213.3374 -3383.3945 3383.3945 2140 1.2981866e-08 -2213.3374 -2213.3374 -3383.3961 3383.3961 2145 2.2198235e-08 -2213.3374 -2213.3374 -3383.3982 3383.3982 Loop time of 0.0939829 on 1 procs for 95 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735423 -2213.33736794 -2213.33736963 Force two-norm initial, final = 0.0115915 0.00485617 Force max component initial, final = 0.000901001 0.000347963 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 95 95 Pair time (%) = 0.0837173 (89.0772) Neigh time (%) = 0 (0) Comm time (%) = 0.000761032 (0.809756) Outpt time (%) = 0.000595093 (0.633192) Other time (%) = 0.00890946 (9.47987) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1900 0 -2213.2658 -2213.2658 -3391.3565 3391.3565 1910 1.0105859e-10 -2213.2658 -2213.2658 -3391.3565 3391.3565 1920 1.108104e-09 -2213.2658 -2213.2658 -3391.3564 3391.3564 1930 5.4121505e-09 -2213.2658 -2213.2658 -3391.356 3391.356 1940 2.9129062e-08 -2213.2658 -2213.2658 -3391.3538 3391.3538 1950 1.1521998e-07 -2213.2659 -2213.2659 -3391.3458 3391.3458 1960 5.6094395e-07 -2213.2662 -2213.2662 -3391.3051 3391.3051 1970 2.2380833e-06 -2213.2671 -2213.2671 -3391.1637 3391.1637 1980 1.2288612e-05 -2213.2718 -2213.2718 -3390.5339 3390.5339 1990 4.195964e-05 -2213.2866 -2213.2866 -3389.4403 3389.4403 2000 6.8471773e-07 -2213.3075 -2213.3075 -3387.0807 3387.0807 2010 1.2186703e-05 -2213.3133 -2213.3133 -3386.1121 3386.1121 2020 3.0677768e-05 -2213.3341 -2213.3341 -3383.752 3383.752 2030 4.6946048e-08 -2213.3358 -2213.3358 -3383.5559 3383.5559 2040 6.7897931e-07 -2213.3362 -2213.3362 -3383.4213 3383.4213 2050 2.0617284e-07 -2213.3364 -2213.3364 -3383.4287 3383.4287 2060 2.940899e-08 -2213.3367 -2213.3367 -3383.4607 3383.4607 2070 1.9463565e-08 -2213.3368 -2213.3368 -3383.4467 3383.4467 2080 2.3539723e-07 -2213.3369 -2213.3369 -3383.4281 3383.4281 2090 6.2044379e-07 -2213.3372 -2213.3372 -3383.4143 3383.4143 2100 1.481043e-09 -2213.3373 -2213.3373 -3383.4113 3383.4113 Loop time of 0.193761 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.26583146 -2213.33728753 -2213.33728788 Force two-norm initial, final = 0.342059 0.0109453 Force max component initial, final = 0.0408205 0.000748566 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.175138 (90.3885) Neigh time (%) = 0 (0) Comm time (%) = 0.00160098 (0.826265) Outpt time (%) = 0.00133228 (0.687591) Other time (%) = 0.0156901 (8.09765) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.3373 -2213.3373 -3383.4113 3383.4113 2110 1.0347368e-13 -2213.3373 -2213.3373 -3383.4113 3383.4113 2120 1.1345759e-12 -2213.3373 -2213.3373 -3383.4113 3383.4113 2130 5.5410221e-12 -2213.3373 -2213.3373 -3383.4113 3383.4113 2140 2.9814664e-11 -2213.3373 -2213.3373 -3383.4113 3383.4113 2150 1.1772809e-10 -2213.3373 -2213.3373 -3383.4113 3383.4113 2160 5.6999421e-10 -2213.3373 -2213.3373 -3383.4112 3383.4112 2170 2.1915876e-09 -2213.3373 -2213.3373 -3383.4108 3383.4108 2180 1.0434534e-08 -2213.3373 -2213.3373 -3383.409 3383.409 2190 3.639196e-08 -2213.3373 -2213.3373 -3383.4048 3383.4048 2195 6.9013979e-08 -2213.3373 -2213.3373 -3383.401 3383.401 Loop time of 0.0928531 on 1 procs for 95 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33728788 -2213.33732456 -2213.33732961 Force two-norm initial, final = 0.0109453 0.00832137 Force max component initial, final = 0.000748566 0.000533858 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 95 95 Pair time (%) = 0.0839596 (90.422) Neigh time (%) = 0 (0) Comm time (%) = 0.00076437 (0.823204) Outpt time (%) = 0.000600338 (0.646546) Other time (%) = 0.00752878 (8.10827) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.2261 -2213.2261 -3403.6123 3403.6123 1860 2.1446465e-10 -2213.2261 -2213.2261 -3403.6121 3403.6121 1870 2.3515185e-09 -2213.2261 -2213.2261 -3403.6104 3403.6104 1880 1.1483042e-08 -2213.2262 -2213.2262 -3403.6027 3403.6027 1890 6.1748941e-08 -2213.2262 -2213.2262 -3403.5608 3403.5608 1900 2.4329687e-07 -2213.2263 -2213.2263 -3403.4083 3403.4083 1910 1.1652553e-06 -2213.2269 -2213.2269 -3402.6418 3402.6418 1920 4.3581266e-06 -2213.2287 -2213.2287 -3400.0857 3400.0857 1930 1.9961784e-05 -2213.2368 -2213.2368 -3390.8335 3390.8335 1940 5.5562233e-05 -2213.2597 -2213.2597 -3390.5052 3390.5052 1950 0.00012121921 -2213.3164 -2213.3164 -3386.3664 3386.3664 1960 1.9399983e-06 -2213.3348 -2213.3348 -3381.5741 3381.5741 1970 5.5093686e-07 -2213.3353 -2213.3353 -3384.8396 3384.8396 1980 1.7670948e-06 -2213.3361 -2213.3361 -3383.9243 3383.9243 1990 1.323005e-07 -2213.3371 -2213.3371 -3381.4938 3381.4938 2000 2.8490521e-08 -2213.3371 -2213.3371 -3383.8648 3383.8648 2010 1.5269199e-07 -2213.3372 -2213.3372 -3383.5592 3383.5592 2020 7.0633386e-09 -2213.3373 -2213.3373 -3383.0802 3383.0802 2029 4.2502865e-08 -2213.3373 -2213.3373 -3383.4605 3383.4605 Loop time of 0.178432 on 1 procs for 179 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.22614687 -2213.33732444 -2213.33732986 Force two-norm initial, final = 0.498302 0.00859783 Force max component initial, final = 0.055075 0.000570062 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 179 179 Pair time (%) = 0.158396 (88.7708) Neigh time (%) = 0 (0) Comm time (%) = 0.00140953 (0.789954) Outpt time (%) = 0.00113034 (0.633486) Other time (%) = 0.0174966 (9.80575) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2029 0 -2213.3373 -2213.3373 -3383.4605 3383.4605 2030 5.1773025e-16 -2213.3373 -2213.3373 -3383.4605 3383.4605 Loop time of 0.00240016 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732986 -2213.33732986 -2213.33732986 Force two-norm initial, final = 0.00859783 0.00859783 Force max component initial, final = 0.000570062 0.000570062 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0019989 (83.282) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.705275) Outpt time (%) = 0 (0) Other time (%) = 0.000384331 (16.0127) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1900 0 -2213.2799 -2213.2799 -3383.5967 3383.5967 1910 1.0381572e-09 -2213.2799 -2213.2799 -3383.5968 3383.5968 1920 1.1382172e-08 -2213.2799 -2213.2799 -3383.598 3383.598 1930 5.5562089e-08 -2213.2799 -2213.2799 -3383.6034 3383.6034 1940 2.9823986e-07 -2213.2801 -2213.2801 -3383.633 3383.633 1950 1.1663696e-06 -2213.2806 -2213.2806 -3383.7399 3383.7399 1960 5.393638e-06 -2213.2832 -2213.2832 -3384.2605 3384.2605 1970 1.7284441e-05 -2213.2906 -2213.2906 -3385.7989 3385.7989 1980 3.1838986e-05 -2213.3043 -2213.3043 -3388.798 3388.798 1990 3.6856345e-05 -2213.3154 -2213.3154 -3386.4784 3386.4784 2000 1.6366631e-06 -2213.3265 -2213.3265 -3386.3952 3386.3952 2010 6.1431314e-06 -2213.3296 -2213.3296 -3384.3651 3384.3651 2020 5.9238067e-07 -2213.333 -2213.333 -3383.9873 3383.9873 2030 3.3279917e-06 -2213.3346 -2213.3346 -3384.1181 3384.1181 2040 6.1258087e-07 -2213.3349 -2213.3349 -3383.7016 3383.7016 2050 2.1491186e-06 -2213.3361 -2213.3361 -3383.498 3383.498 2060 1.7726033e-07 -2213.3371 -2213.3371 -3383.2659 3383.2659 2070 6.7732213e-08 -2213.3371 -2213.3371 -3383.5038 3383.5038 2080 3.3226473e-07 -2213.3372 -2213.3372 -3383.5866 3383.5866 2090 2.141833e-08 -2213.3373 -2213.3373 -3383.3395 3383.3395 2100 6.5561672e-08 -2213.3373 -2213.3373 -3383.3998 3383.3998 Loop time of 0.197681 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.27987891 -2213.33731575 -2213.33732177 Force two-norm initial, final = 1.09635 0.00983111 Force max component initial, final = 0.107427 0.000754018 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.175369 (88.713) Neigh time (%) = 0 (0) Comm time (%) = 0.00162721 (0.823148) Outpt time (%) = 0.00134349 (0.679625) Other time (%) = 0.0193415 (9.78418) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.3373 -2213.3373 -3383.3998 3383.3998 2110 8.34786e-14 -2213.3373 -2213.3373 -3383.3998 3383.3998 2120 9.1530262e-13 -2213.3373 -2213.3373 -3383.3998 3383.3998 2130 4.4693465e-12 -2213.3373 -2213.3373 -3383.3998 3383.3998 2140 2.402784e-11 -2213.3373 -2213.3373 -3383.3998 3383.3998 2150 9.4527302e-11 -2213.3373 -2213.3373 -3383.3998 3383.3998 2160 4.505991e-10 -2213.3373 -2213.3373 -3383.4 3383.4 2167 1.1108202e-09 -2213.3373 -2213.3373 -3383.4003 3383.4003 Loop time of 0.0667078 on 1 procs for 67 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732177 -2213.33732238 -2213.33732246 Force two-norm initial, final = 0.00983111 0.00937293 Force max component initial, final = 0.000754018 0.000697445 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 67 67 Pair time (%) = 0.0593133 (88.915) Neigh time (%) = 0 (0) Comm time (%) = 0.000550032 (0.824538) Outpt time (%) = 0.000397205 (0.59544) Other time (%) = 0.00644732 (9.665) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.2898 -2213.2898 -3389.0679 3389.0679 1960 1.713558e-10 -2213.2898 -2213.2898 -3389.0679 3389.0679 1970 1.8788566e-09 -2213.2898 -2213.2898 -3389.0679 3389.0679 1980 9.1752714e-09 -2213.2898 -2213.2898 -3389.0677 3389.0677 1990 4.9346385e-08 -2213.2899 -2213.2899 -3389.067 3389.067 2000 1.9459024e-07 -2213.29 -2213.29 -3389.0643 3389.0643 2010 9.3412389e-07 -2213.2904 -2213.2904 -3389.0498 3389.0498 2020 3.5132504e-06 -2213.2919 -2213.2919 -3388.9919 3388.9919 2030 1.4359122e-05 -2213.2975 -2213.2975 -3388.5821 3388.5821 2040 2.8176757e-05 -2213.3073 -2213.3073 -3387.4111 3387.4111 2050 5.339469e-07 -2213.3202 -2213.3202 -3385.866 3385.866 2060 7.2828017e-06 -2213.3237 -2213.3237 -3385.1269 3385.1269 2070 1.7118655e-05 -2213.3354 -2213.3354 -3383.5502 3383.5502 2080 4.1656697e-08 -2213.3364 -2213.3364 -3383.4496 3383.4496 2090 4.5491551e-07 -2213.3367 -2213.3367 -3383.3372 3383.3372 2100 1.3374278e-07 -2213.3368 -2213.3368 -3383.3241 3383.3241 2110 2.4238374e-08 -2213.337 -2213.337 -3383.4247 3383.4247 2120 1.2988983e-08 -2213.337 -2213.337 -3383.3899 3383.3899 2130 1.4191512e-07 -2213.3371 -2213.3371 -3383.3975 3383.3975 2140 3.2223992e-07 -2213.3373 -2213.3373 -3383.4215 3383.4215 2150 7.8053625e-10 -2213.3373 -2213.3373 -3383.4186 3383.4186 Loop time of 0.194623 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.28983178 -2213.33734072 -2213.33734093 Force two-norm initial, final = 0.445414 0.00925575 Force max component initial, final = 0.105566 0.00072048 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.174852 (89.8413) Neigh time (%) = 0 (0) Comm time (%) = 0.00157714 (0.810356) Outpt time (%) = 0.00135136 (0.694346) Other time (%) = 0.0168426 (8.65396) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.3373 -2213.3373 -3383.4186 3383.4186 2160 7.3993461e-14 -2213.3373 -2213.3373 -3383.4186 3383.4186 2170 8.1131084e-13 -2213.3373 -2213.3373 -3383.4186 3383.4186 2180 3.96199e-12 -2213.3373 -2213.3373 -3383.4186 3383.4186 2190 2.1307719e-11 -2213.3373 -2213.3373 -3383.4185 3383.4185 2200 8.4037221e-11 -2213.3373 -2213.3373 -3383.4184 3383.4184 2210 4.0375e-10 -2213.3373 -2213.3373 -3383.4177 3383.4177 2220 1.5627578e-09 -2213.3373 -2213.3373 -3383.4154 3383.4154 2230 8.8161046e-09 -2213.3373 -2213.3373 -3383.4065 3383.4065 2239 1.5063443e-08 -2213.3374 -2213.3374 -3383.4034 3383.4034 Loop time of 0.0877039 on 1 procs for 89 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734093 -2213.33735046 -2213.33735151 Force two-norm initial, final = 0.00925575 0.00661725 Force max component initial, final = 0.00072048 0.00043371 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 89 89 Pair time (%) = 0.0789332 (89.9996) Neigh time (%) = 0 (0) Comm time (%) = 0.000721931 (0.823146) Outpt time (%) = 0.000532866 (0.607573) Other time (%) = 0.00751591 (8.56963) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.2064 -2213.2064 -3397.8372 3397.8372 2010 6.4821489e-10 -2213.2064 -2213.2064 -3397.8372 3397.8372 2020 7.1073242e-09 -2213.2064 -2213.2064 -3397.8372 3397.8372 2030 3.4704894e-08 -2213.2064 -2213.2064 -3397.8371 3397.8371 2040 1.8656376e-07 -2213.2065 -2213.2065 -3397.8365 3397.8365 2050 7.3424672e-07 -2213.2069 -2213.2069 -3397.8341 3397.8341 2060 3.4940902e-06 -2213.2085 -2213.2085 -3397.8172 3397.8172 2070 1.2669119e-05 -2213.2139 -2213.2139 -3397.7017 3397.7017 2080 4.3972296e-05 -2213.2315 -2213.2315 -3396.1939 3396.1939 2090 7.0471086e-05 -2213.2554 -2213.2554 -3391.4548 3391.4548 2100 1.7427366e-06 -2213.29 -2213.29 -3388.4296 3388.4296 2110 1.9545717e-05 -2213.2996 -2213.2996 -3387.3889 3387.3889 2120 4.9933523e-05 -2213.3319 -2213.3319 -3383.8775 3383.8775 2130 6.39707e-07 -2213.3348 -2213.3348 -3383.611 3383.611 2140 1.9931749e-06 -2213.3356 -2213.3356 -3383.4698 3383.4698 2150 3.9216902e-07 -2213.3359 -2213.3359 -3383.5042 3383.5042 2160 3.1671937e-07 -2213.3364 -2213.3364 -3383.4531 3383.4531 2170 7.1661639e-08 -2213.3364 -2213.3364 -3383.4689 3383.4689 2180 3.7865548e-07 -2213.3367 -2213.3367 -3383.4632 3383.4632 2190 8.5481389e-07 -2213.3371 -2213.3371 -3383.4335 3383.4335 2200 1.2887326e-08 -2213.3373 -2213.3373 -3383.3811 3383.3811 Loop time of 0.194431 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.20642056 -2213.33725308 -2213.33725653 Force two-norm initial, final = 0.866312 0.0353853 Force max component initial, final = 0.239549 0.00262634 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.175208 (90.113) Neigh time (%) = 0 (0) Comm time (%) = 0.00161314 (0.829672) Outpt time (%) = 0.00134444 (0.691475) Other time (%) = 0.0162659 (8.36588) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.3373 -2213.3373 -3383.3811 3383.3811 2210 1.0814642e-12 -2213.3373 -2213.3373 -3383.3811 3383.3811 2220 1.1856879e-11 -2213.3373 -2213.3373 -3383.3811 3383.3811 2230 5.787768e-11 -2213.3373 -2213.3373 -3383.3811 3383.3811 2240 3.1060816e-10 -2213.3373 -2213.3373 -3383.3813 3383.3813 2250 1.2141091e-09 -2213.3373 -2213.3373 -3383.3817 3383.3817 2260 5.5967347e-09 -2213.3373 -2213.3373 -3383.3842 3383.3842 2270 1.7947236e-08 -2213.3373 -2213.3373 -3383.392 3383.392 2280 3.2836742e-08 -2213.3373 -2213.3373 -3383.4145 3383.4145 2290 4.8519918e-08 -2213.3373 -2213.3373 -3383.4032 3383.4032 2296 7.549393e-08 -2213.3373 -2213.3373 -3383.4049 3383.4049 Loop time of 0.0933979 on 1 procs for 96 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33725653 -2213.33732016 -2213.33732671 Force two-norm initial, final = 0.0353853 0.00872384 Force max component initial, final = 0.00262634 0.000615553 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 96 96 Pair time (%) = 0.0846906 (90.6772) Neigh time (%) = 0 (0) Comm time (%) = 0.000774145 (0.828868) Outpt time (%) = 0.000597715 (0.639967) Other time (%) = 0.00733542 (7.85395) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2905 -2213.2905 -3385.4857 3385.4857 2060 2.8461311e-10 -2213.2905 -2213.2905 -3385.4857 3385.4857 2070 3.120491e-09 -2213.2906 -2213.2906 -3385.4864 3385.4864 2080 1.5233782e-08 -2213.2906 -2213.2906 -3385.4892 3385.4892 2090 8.1799558e-08 -2213.2906 -2213.2906 -3385.5047 3385.5047 2100 3.203926e-07 -2213.2907 -2213.2907 -3385.5609 3385.5609 2110 1.4922339e-06 -2213.2915 -2213.2915 -3385.8393 3385.8393 2120 4.9531612e-06 -2213.2936 -2213.2936 -3386.7193 3386.7193 2130 1.2711591e-05 -2213.2988 -2213.2988 -3389.2498 3389.2498 2140 2.9431366e-05 -2213.3087 -2213.3087 -3387.7032 3387.7032 2150 6.9337618e-07 -2213.3215 -2213.3215 -3385.7291 3385.7291 2160 6.929416e-06 -2213.3248 -2213.3248 -3385.1246 3385.1246 2170 1.7240574e-05 -2213.3351 -2213.3351 -3383.3606 3383.3606 2180 1.5254387e-06 -2213.3359 -2213.3359 -3382.932 3382.932 2190 3.6262192e-07 -2213.3363 -2213.3363 -3383.4234 3383.4234 2200 2.0609253e-07 -2213.3365 -2213.3365 -3383.1848 3383.1848 2210 1.3227823e-06 -2213.3369 -2213.3369 -3383.3032 3383.3032 2220 1.3913442e-08 -2213.337 -2213.337 -3383.4096 3383.4096 2230 8.1946071e-08 -2213.3371 -2213.3371 -3383.3805 3383.3805 2240 3.1433675e-07 -2213.3372 -2213.3372 -3383.3828 3383.3828 2250 3.2214989e-10 -2213.3373 -2213.3373 -3383.3942 3383.3942 Loop time of 0.194381 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.29054963 -2213.33732721 -2213.33732721 Force two-norm initial, final = 0.574041 0.0206004 Force max component initial, final = 0.0611461 0.00137398 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.17474 (89.8955) Neigh time (%) = 0 (0) Comm time (%) = 0.00157905 (0.812346) Outpt time (%) = 0.0013423 (0.690549) Other time (%) = 0.0167198 (8.60157) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.3373 -2213.3373 -3383.3942 3383.3942 2260 3.6653885e-13 -2213.3373 -2213.3373 -3383.3942 3383.3942 2270 4.0186165e-12 -2213.3373 -2213.3373 -3383.3942 3383.3942 2280 1.9615585e-11 -2213.3373 -2213.3373 -3383.3942 3383.3942 2290 1.0525615e-10 -2213.3373 -2213.3373 -3383.3943 3383.3943 2300 4.1107547e-10 -2213.3373 -2213.3373 -3383.3944 3383.3944 2310 1.889623e-09 -2213.3373 -2213.3373 -3383.3952 3383.3952 2320 5.9187958e-09 -2213.3373 -2213.3373 -3383.3976 3383.3976 2330 1.0578615e-08 -2213.3373 -2213.3373 -3383.4045 3383.4045 2340 2.3193292e-08 -2213.3373 -2213.3373 -3383.4006 3383.4006 2350 5.0529618e-08 -2213.3374 -2213.3374 -3383.3981 3383.3981 2360 2.6345889e-08 -2213.3373 -2213.3373 -3383.3519 3383.3519 2370 8.329852e-07 -2213.2458 -2213.2458 -3371.0802 3371.0802 2380 0.00034681995 -2213.3102 -2213.3102 -3379.5239 3379.5239 2390 3.7759605e-06 -2213.2137 -2213.2137 -3364.3153 3364.3153 2400 1.875264e-05 -2213.2875 -2213.2875 -3376.9009 3376.9009 2410 2.0858518e-05 -2213.2983 -2213.2983 -3376.9628 3376.9628 2420 2.2126614e-05 -2213.3316 -2213.3316 -3382.5885 3382.5885 2430 8.0869167e-06 -2213.3303 -2213.3303 -3382.5864 3382.5864 2440 3.6751765e-05 -2213.3366 -2213.3366 -3383.3942 3383.3942 2450 2.4169356e-06 -2213.3368 -2213.3368 -3383.25 3383.25 Loop time of 0.236382 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33732721 -2213.33692292 -2213.33682524 Force two-norm initial, final = 0.0206004 0.20242 Force max component initial, final = 0.00137398 0.0100039 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.174387 (73.7734) Neigh time (%) = 0 (0) Comm time (%) = 0.00159097 (0.673049) Outpt time (%) = 0.00133657 (0.56543) Other time (%) = 0.0590675 (24.9881) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.2565 -2213.2565 -3397.7829 3397.7829 1960 4.5847133e-10 -2213.2565 -2213.2565 -3397.7828 3397.7828 1970 5.0267342e-09 -2213.2565 -2213.2565 -3397.782 3397.782 1980 2.4541548e-08 -2213.2565 -2213.2565 -3397.7786 3397.7786 1990 1.3182426e-07 -2213.2566 -2213.2566 -3397.7598 3397.7598 2000 5.1712254e-07 -2213.2568 -2213.2568 -3397.6912 3397.6912 2010 2.4252052e-06 -2213.2579 -2213.2579 -3397.3396 3397.3396 2020 8.3370411e-06 -2213.2615 -2213.2615 -3396.0767 3396.0767 2030 2.4139315e-05 -2213.2706 -2213.2706 -3390.1679 3390.1679 2040 3.4931905e-05 -2213.2849 -2213.2849 -3388.403 3388.403 2050 6.51502e-05 -2213.3189 -2213.3189 -3381.5842 3381.5842 2060 4.7891252e-06 -2213.3341 -2213.3341 -3384.6781 3384.6781 2070 3.5791697e-07 -2213.3344 -2213.3344 -3383.5005 3383.5005 2080 1.4454788e-06 -2213.3352 -2213.3352 -3383.4547 3383.4547 2090 5.924399e-09 -2213.3369 -2213.3369 -3383.6249 3383.6249 2100 2.6528983e-08 -2213.3369 -2213.3369 -3383.4572 3383.4572 2110 2.6538309e-07 -2213.3371 -2213.3371 -3383.4244 3383.4244 2120 1.3196446e-08 -2213.3372 -2213.3372 -3383.4171 3383.4171 2130 7.293591e-09 -2213.3372 -2213.3372 -3383.4137 3383.4137 2140 4.6658696e-08 -2213.3372 -2213.3372 -3383.4109 3383.4109 2147 1.3569338e-07 -2213.3373 -2213.3373 -3383.4053 3383.4053 Loop time of 0.194966 on 1 procs for 197 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25647364 -2213.33729376 -2213.33730534 Force two-norm initial, final = 0.728571 0.00993779 Force max component initial, final = 0.0742721 0.000724303 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 197 197 Pair time (%) = 0.173587 (89.0346) Neigh time (%) = 0 (0) Comm time (%) = 0.00158262 (0.811743) Outpt time (%) = 0.00127721 (0.655093) Other time (%) = 0.0185189 (9.49854) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2147 0 -2213.3373 -2213.3373 -3383.4053 3383.4053 2148 6.9168102e-16 -2213.3373 -2213.3373 -3383.4053 3383.4053 Loop time of 0.00213385 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33730534 -2213.33730534 -2213.33730534 Force two-norm initial, final = 0.00993779 0.00993779 Force max component initial, final = 0.000724303 0.000724303 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185776 (87.0615) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.703911) Outpt time (%) = 0 (0) Other time (%) = 0.000261068 (12.2346) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.2902 -2213.2902 -3394.6352 3394.6352 2010 1.7354678e-10 -2213.2902 -2213.2902 -3394.6351 3394.6351 2020 1.902868e-09 -2213.2902 -2213.2902 -3394.6344 3394.6344 2030 9.292189e-09 -2213.2902 -2213.2902 -3394.6314 3394.6314 2040 4.9966829e-08 -2213.2903 -2213.2903 -3394.6151 3394.6151 2050 1.9689038e-07 -2213.2904 -2213.2904 -3394.5555 3394.5555 2060 9.42777e-07 -2213.2908 -2213.2908 -3394.2553 3394.2553 2070 3.5406748e-06 -2213.2923 -2213.2923 -3393.2387 3393.2387 2080 1.6485544e-05 -2213.2985 -2213.2985 -3389.3211 3389.3211 2090 3.1081052e-05 -2213.312 -2213.312 -3388.2204 3388.2204 2100 3.7671126e-05 -2213.3316 -2213.3316 -3382.947 3382.947 2110 1.2752964e-06 -2213.3343 -2213.3343 -3382.3002 3382.3002 2120 5.6631017e-07 -2213.3348 -2213.3348 -3382.3822 3382.3822 2130 2.3414652e-06 -2213.336 -2213.336 -3382.7376 3382.7376 2140 4.5643614e-08 -2213.337 -2213.337 -3383.2514 3383.2514 2150 2.4445516e-08 -2213.337 -2213.337 -3383.2458 3383.2458 2160 2.1855036e-07 -2213.3371 -2213.3371 -3383.303 3383.303 2170 3.4728824e-10 -2213.3373 -2213.3373 -3383.4177 3383.4177 2180 1.8293568e-09 -2213.3373 -2213.3373 -3383.4228 3383.4228 Loop time of 0.175266 on 1 procs for 180 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2902385 -2213.33733416 -2213.33733448 Force two-norm initial, final = 0.448253 0.00834302 Force max component initial, final = 0.0537995 0.000670857 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 180 180 Pair time (%) = 0.158526 (90.449) Neigh time (%) = 0 (0) Comm time (%) = 0.00144911 (0.826805) Outpt time (%) = 0.00112915 (0.644249) Other time (%) = 0.0141613 (8.07992) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2180 0 -2213.3373 -2213.3373 -3383.4228 3383.4228 2181 4.8749841e-16 -2213.3373 -2213.3373 -3383.4228 3383.4228 Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733448 -2213.33733448 -2213.33733448 Force two-norm initial, final = 0.00834302 0.00834302 Force max component initial, final = 0.000670857 0.000670857 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184727 (89.0268) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.815811) Outpt time (%) = 0 (0) Other time (%) = 0.000210762 (10.1574) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.29 -2213.29 -3393.8152 3393.8152 2060 1.819033e-10 -2213.29 -2213.29 -3393.8151 3393.8151 2070 1.9945061e-09 -2213.29 -2213.29 -3393.8146 3393.8146 2080 9.7399861e-09 -2213.29 -2213.29 -3393.8121 3393.8121 2090 5.238303e-08 -2213.29 -2213.29 -3393.7987 3393.7987 2100 2.0654353e-07 -2213.2901 -2213.2901 -3393.75 3393.75 2110 9.9178865e-07 -2213.2906 -2213.2906 -3393.5041 3393.5041 2120 3.758434e-06 -2213.2922 -2213.2922 -3392.672 3392.672 2130 1.7562911e-05 -2213.2988 -2213.2988 -3389.4309 3389.4309 2140 3.0151592e-05 -2213.3119 -2213.3119 -3388.1017 3388.1017 2150 3.7066233e-05 -2213.3314 -2213.3314 -3383.4507 3383.4507 2160 1.2676042e-06 -2213.3344 -2213.3344 -3382.2041 3382.2041 2170 5.432351e-07 -2213.3349 -2213.3349 -3382.4056 3382.4056 2180 2.2375066e-06 -2213.336 -2213.336 -3382.7911 3382.7911 2190 3.6218696e-08 -2213.337 -2213.337 -3383.2216 3383.2216 2200 2.4502056e-08 -2213.337 -2213.337 -3383.2525 3383.2525 2210 2.2397811e-07 -2213.3371 -2213.3371 -3383.3152 3383.3152 2220 2.782875e-10 -2213.3373 -2213.3373 -3383.4212 3383.4212 2230 1.4101193e-09 -2213.3373 -2213.3373 -3383.4199 3383.4199 2240 1.5325548e-08 -2213.3373 -2213.3373 -3383.4162 3383.4162 2243 2.3868013e-08 -2213.3373 -2213.3373 -3383.4133 3383.4133 Loop time of 0.189391 on 1 procs for 193 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29001156 -2213.33734215 -2213.33734451 Force two-norm initial, final = 0.458918 0.0072655 Force max component initial, final = 0.0754693 0.000482963 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 193 193 Pair time (%) = 0.169959 (89.74) Neigh time (%) = 0 (0) Comm time (%) = 0.00154042 (0.813356) Outpt time (%) = 0.00126338 (0.667075) Other time (%) = 0.0166278 (8.77961) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2243 0 -2213.3373 -2213.3373 -3383.4133 3383.4133 2244 3.6970624e-16 -2213.3373 -2213.3373 -3383.4133 3383.4133 Loop time of 0.00212622 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734451 -2213.33734451 -2213.33734451 Force two-norm initial, final = 0.0072655 0.0072655 Force max component initial, final = 0.000482963 0.000482963 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (86.959) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.75129) Outpt time (%) = 0 (0) Other time (%) = 0.000261307 (12.2898) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.2798 -2213.2798 -3389.2266 3389.2266 2010 1.6900041e-10 -2213.2798 -2213.2798 -3389.2266 3389.2266 2020 1.8529929e-09 -2213.2798 -2213.2798 -3389.2266 3389.2266 2030 9.0478996e-09 -2213.2798 -2213.2798 -3389.2269 3389.2269 2040 4.8634894e-08 -2213.2798 -2213.2798 -3389.2284 3389.2284 2050 1.9130823e-07 -2213.2799 -2213.2799 -3389.2338 3389.2338 2060 9.0929011e-07 -2213.2804 -2213.2804 -3389.2591 3389.2591 2070 3.2902906e-06 -2213.2818 -2213.2818 -3389.3195 3389.3195 2080 1.2602496e-05 -2213.287 -2213.287 -3389.1567 3389.1567 2090 2.6494358e-05 -2213.2982 -2213.2982 -3387.645 3387.645 2100 5.8913017e-05 -2213.3255 -2213.3255 -3384.2991 3384.2991 2110 5.3383143e-07 -2213.3365 -2213.3365 -3381.8633 3381.8633 2120 2.7516227e-07 -2213.337 -2213.337 -3383.4858 3383.4858 2130 3.0685186e-08 -2213.337 -2213.337 -3383.2154 3383.2154 2140 1.8459846e-07 -2213.3371 -2213.3371 -3383.4685 3383.4685 2150 2.9977355e-07 -2213.3373 -2213.3373 -3383.6046 3383.6046 2160 3.1050634e-10 -2213.3374 -2213.3374 -3383.4096 3383.4096 2170 9.3861243e-09 -2213.3374 -2213.3374 -3383.4173 3383.4173 2174 1.8074449e-08 -2213.3374 -2213.3374 -3383.4157 3383.4157 Loop time of 0.168254 on 1 procs for 174 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27981778 -2213.33736257 -2213.33736454 Force two-norm initial, final = 0.442343 0.00613572 Force max component initial, final = 0.046303 0.000612808 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.152937 (90.8965) Neigh time (%) = 0 (0) Comm time (%) = 0.00136757 (0.8128) Outpt time (%) = 0.00113297 (0.673365) Other time (%) = 0.0128164 (7.6173) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2174 0 -2213.3374 -2213.3374 -3383.4157 3383.4157 2175 2.6366789e-16 -2213.3374 -2213.3374 -3383.4157 3383.4157 Loop time of 0.002074 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736454 -2213.33736454 -2213.33736454 Force two-norm initial, final = 0.00613572 0.00613572 Force max component initial, final = 0.000612808 0.000612808 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.2516) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.781699) Outpt time (%) = 0 (0) Other time (%) = 0.000206709 (9.96666) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2902 -2213.2902 -3394.0514 3394.0514 2060 1.8064258e-10 -2213.2902 -2213.2902 -3394.0513 3394.0513 2070 1.9806698e-09 -2213.2902 -2213.2902 -3394.0507 3394.0507 2080 9.6720053e-09 -2213.2902 -2213.2902 -3394.0481 3394.0481 2090 5.2007919e-08 -2213.2902 -2213.2902 -3394.0338 3394.0338 2100 2.0487298e-07 -2213.2903 -2213.2903 -3393.9816 3393.9816 2110 9.8015015e-07 -2213.2908 -2213.2908 -3393.7188 3393.7188 2120 3.6355688e-06 -2213.2923 -2213.2923 -3392.8356 3392.8356 2130 1.5007023e-05 -2213.2986 -2213.2986 -3389.4914 3389.4914 2140 3.0441544e-05 -2213.3114 -2213.3114 -3388.2017 3388.2017 2150 4.4556822e-05 -2213.332 -2213.332 -3384.1483 3384.1483 2160 1.3284783e-06 -2213.3347 -2213.3347 -3381.9323 3381.9323 2170 4.7539494e-07 -2213.3351 -2213.3351 -3382.4053 3382.4053 2180 2.1467239e-06 -2213.3362 -2213.3362 -3382.7644 3382.7644 2190 8.0408005e-09 -2213.3372 -2213.3372 -3384.3251 3384.3251 2200 2.7110776e-08 -2213.3372 -2213.3372 -3383.5547 3383.5547 2210 1.9668534e-07 -2213.3373 -2213.3373 -3383.4074 3383.4074 2220 1.0534325e-08 -2213.3374 -2213.3374 -3383.502 3383.502 2221 1.2541729e-08 -2213.3374 -2213.3374 -3383.4377 3383.4377 Loop time of 0.166324 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29017544 -2213.33736654 -2213.33736744 Force two-norm initial, final = 0.457325 0.00599828 Force max component initial, final = 0.0722144 0.000690766 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.150861 (90.7029) Neigh time (%) = 0 (0) Comm time (%) = 0.00137019 (0.823809) Outpt time (%) = 0.00112605 (0.677023) Other time (%) = 0.0129671 (7.7963) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2221 0 -2213.3374 -2213.3374 -3383.4377 3383.4377 2222 2.5198764e-16 -2213.3374 -2213.3374 -3383.4377 3383.4377 Loop time of 0.00206304 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736744 -2213.33736744 -2213.33736744 Force two-norm initial, final = 0.00599828 0.00599828 Force max component initial, final = 0.000690766 0.000690766 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (89.6221) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.832081) Outpt time (%) = 0 (0) Other time (%) = 0.000196934 (9.54582) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.2888 -2213.2888 -3392.2863 3392.2863 2110 2.0043131e-10 -2213.2888 -2213.2888 -3392.2863 3392.2863 2120 2.1976483e-09 -2213.2888 -2213.2888 -3392.286 3392.286 2130 1.0731633e-08 -2213.2888 -2213.2888 -3392.2847 3392.2847 2140 5.7707934e-08 -2213.2888 -2213.2888 -3392.2776 3392.2776 2150 2.2735936e-07 -2213.2889 -2213.2889 -3392.2516 3392.2516 2160 1.0884063e-06 -2213.2895 -2213.2895 -3392.1202 3392.1202 2170 4.0407669e-06 -2213.2912 -2213.2912 -3391.6713 3391.6713 2180 1.6431358e-05 -2213.298 -2213.298 -3389.8199 3389.8199 2190 3.0894869e-05 -2213.311 -2213.311 -3388.1446 3388.1446 2200 4.5104439e-05 -2213.3318 -2213.3318 -3384.2536 3384.2536 2210 1.1501685e-06 -2213.3347 -2213.3347 -3382.0453 3382.0453 2220 4.2448163e-07 -2213.3353 -2213.3353 -3382.536 3382.536 2230 1.7130529e-06 -2213.3363 -2213.3363 -3382.6746 3382.6746 2240 3.1012712e-08 -2213.3372 -2213.3372 -3382.8441 3382.8441 2250 1.5953642e-08 -2213.3372 -2213.3372 -3383.4384 3383.4384 2260 1.1864548e-07 -2213.3373 -2213.3373 -3383.3934 3383.3934 2270 1.4894063e-07 -2213.3374 -2213.3374 -3383.6237 3383.6237 2274 9.807791e-09 -2213.3374 -2213.3374 -3383.4485 3383.4485 Loop time of 0.172789 on 1 procs for 174 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28880437 -2213.33736737 -2213.33736866 Force two-norm initial, final = 0.481723 0.0059152 Force max component initial, final = 0.0941874 0.000644359 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.154062 (89.1616) Neigh time (%) = 0 (0) Comm time (%) = 0.00139546 (0.807611) Outpt time (%) = 0.00114989 (0.665489) Other time (%) = 0.0161822 (9.36528) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2274 0 -2213.3374 -2213.3374 -3383.4485 3383.4485 2280 8.8220159e-15 -2213.3374 -2213.3374 -3383.4485 3383.4485 2290 1.356909e-13 -2213.3374 -2213.3374 -3383.4485 3383.4485 2300 8.8033995e-13 -2213.3374 -2213.3374 -3383.4485 3383.4485 2310 4.3453768e-12 -2213.3374 -2213.3374 -3383.4484 3383.4484 2320 1.9931281e-11 -2213.3374 -2213.3374 -3383.4481 3383.4481 2330 8.5468152e-11 -2213.3374 -2213.3374 -3383.4467 3383.4467 2340 3.6593196e-10 -2213.3374 -2213.3374 -3383.441 3383.441 2342 4.7231441e-10 -2213.3374 -2213.3374 -3383.439 3383.439 Loop time of 0.0679121 on 1 procs for 68 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736866 -2213.33736892 -2213.33736895 Force two-norm initial, final = 0.0059152 0.00571671 Force max component initial, final = 0.000644359 0.000623861 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 68 68 Pair time (%) = 0.0604737 (89.047) Neigh time (%) = 0 (0) Comm time (%) = 0.00056386 (0.830279) Outpt time (%) = 0.000468254 (0.6895) Other time (%) = 0.00640631 (9.43323) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2721 -2213.2721 -3386.4848 3386.4848 2060 1.2619501e-10 -2213.2721 -2213.2721 -3386.4848 3386.4848 2070 1.3836837e-09 -2213.2721 -2213.2721 -3386.485 3386.485 2080 6.7569002e-09 -2213.2721 -2213.2721 -3386.4858 3386.4858 2090 3.6337677e-08 -2213.2721 -2213.2721 -3386.49 3386.49 2100 1.4317491e-07 -2213.2722 -2213.2722 -3386.5052 3386.5052 2110 6.8648453e-07 -2213.2725 -2213.2725 -3386.5807 3386.5807 2120 2.5484547e-06 -2213.2736 -2213.2736 -3386.8193 3386.8193 2130 1.086157e-05 -2213.2785 -2213.2785 -3387.4886 3387.4886 2140 3.1387113e-05 -2213.2917 -2213.2917 -3386.3683 3386.3683 2150 7.8019562e-05 -2213.3252 -2213.3252 -3385.0537 3385.0537 2160 3.9053041e-07 -2213.3359 -2213.3359 -3384.0678 3384.0678 2170 2.3274295e-07 -2213.3363 -2213.3363 -3384.2072 3384.2072 2180 1.1086168e-06 -2213.3368 -2213.3368 -3383.925 3383.925 2190 3.5799935e-09 -2213.3373 -2213.3373 -3383.3859 3383.3859 2200 1.1195874e-08 -2213.3373 -2213.3373 -3383.1627 3383.1627 2210 3.1930276e-09 -2213.3374 -2213.3374 -3383.2588 3383.2588 2211 4.2350633e-09 -2213.3374 -2213.3374 -3383.2525 3383.2525 Loop time of 0.161482 on 1 procs for 161 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27206669 -2213.33735533 -2213.33735588 Force two-norm initial, final = 0.38224 0.00976121 Force max component initial, final = 0.0342368 0.000796186 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 161 161 Pair time (%) = 0.142424 (88.1979) Neigh time (%) = 0 (0) Comm time (%) = 0.00130057 (0.805399) Outpt time (%) = 0.00107884 (0.66809) Other time (%) = 0.0166788 (10.3286) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2211 0 -2213.3374 -2213.3374 -3383.2525 3383.2525 2212 6.6731893e-16 -2213.3374 -2213.3374 -3383.2525 3383.2525 Loop time of 0.00207686 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735588 -2213.33735588 -2213.33735588 Force two-norm initial, final = 0.00976121 0.00976121 Force max component initial, final = 0.000796186 0.000796186 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184822 (88.9909) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.757663) Outpt time (%) = 0 (0) Other time (%) = 0.000212908 (10.2514) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.2998 -2213.2998 -3387.8305 3387.8305 2110 2.1755649e-10 -2213.2998 -2213.2998 -3387.8305 3387.8305 2120 2.3853182e-09 -2213.2998 -2213.2998 -3387.8306 3387.8306 2130 1.1645465e-08 -2213.2998 -2213.2998 -3387.8306 3387.8306 2140 6.2553356e-08 -2213.2998 -2213.2998 -3387.8311 3387.8311 2150 2.4529924e-07 -2213.2999 -2213.2999 -3387.8327 3387.8327 2160 1.1501354e-06 -2213.3005 -2213.3005 -3387.8384 3387.8384 2170 3.9140331e-06 -2213.3022 -2213.3022 -3387.8269 3387.8269 2180 1.1269248e-05 -2213.3071 -2213.3071 -3387.3524 3387.3524 2190 2.0883522e-05 -2213.3154 -2213.3154 -3386.3354 3386.3354 2200 3.5567557e-05 -2213.3307 -2213.3307 -3383.7407 3383.7407 2210 1.614157e-06 -2213.3363 -2213.3363 -3382.4118 3382.4118 2220 2.2144753e-07 -2213.3369 -2213.3369 -3382.9566 3382.9566 2230 6.604572e-07 -2213.3372 -2213.3372 -3383.1373 3383.1373 2240 1.7206081e-08 -2213.3373 -2213.3373 -3383.41 3383.41 2250 1.9305506e-08 -2213.3374 -2213.3374 -3383.5132 3383.5132 2259 4.2869824e-08 -2213.3374 -2213.3374 -3383.445 3383.445 Loop time of 0.157414 on 1 procs for 159 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29978928 -2213.33738045 -2213.33738356 Force two-norm initial, final = 0.501882 0.00499487 Force max component initial, final = 0.0831585 0.000512733 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 159 159 Pair time (%) = 0.140592 (89.3132) Neigh time (%) = 0 (0) Comm time (%) = 0.0012691 (0.806218) Outpt time (%) = 0.00102282 (0.649761) Other time (%) = 0.0145307 (9.23084) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2259 0 -2213.3374 -2213.3374 -3383.445 3383.445 2260 1.747331e-16 -2213.3374 -2213.3374 -3383.445 3383.445 Loop time of 0.00219893 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738356 -2213.33738356 -2213.33738356 Force two-norm initial, final = 0.00499487 0.00499487 Force max component initial, final = 0.000512733 0.000512733 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198174 (90.1225) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.769815) Outpt time (%) = 0 (0) Other time (%) = 0.000200272 (9.10767) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.2996 -2213.2996 -3383.6945 3383.6945 2160 2.5134948e-10 -2213.2996 -2213.2996 -3383.6946 3383.6946 2170 2.7557833e-09 -2213.2996 -2213.2996 -3383.6954 3383.6954 2180 1.3453046e-08 -2213.2996 -2213.2996 -3383.6987 3383.6987 2190 7.2232457e-08 -2213.2996 -2213.2996 -3383.7169 3383.7169 2200 2.8278681e-07 -2213.2998 -2213.2998 -3383.783 3383.783 2210 1.3154751e-06 -2213.3004 -2213.3004 -3384.1107 3384.1107 2220 4.3418487e-06 -2213.3023 -2213.3023 -3385.1491 3385.1491 2230 1.1108835e-05 -2213.3071 -2213.3071 -3388.1827 3388.1827 2240 2.2368097e-05 -2213.316 -2213.316 -3386.9861 3386.9861 2250 3.7733566e-05 -2213.3321 -2213.3321 -3383.1782 3383.1782 2260 5.1242554e-06 -2213.3359 -2213.3359 -3382.6102 3382.6102 2270 5.6119192e-07 -2213.3361 -2213.3361 -3382.4589 3382.4589 2280 1.1728387e-06 -2213.3366 -2213.3366 -3382.7278 3382.7278 2290 1.5858785e-06 -2213.3369 -2213.3369 -3382.2709 3382.2709 2300 2.3647448e-08 -2213.3373 -2213.3373 -3383.6513 3383.6513 2310 8.9515218e-08 -2213.3373 -2213.3373 -3383.6859 3383.6859 2317 6.4845223e-09 -2213.3374 -2213.3374 -3383.3993 3383.3993 Loop time of 0.163387 on 1 procs for 167 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29958221 -2213.33736698 -2213.33736817 Force two-norm initial, final = 0.539455 0.00925729 Force max component initial, final = 0.0621745 0.000808434 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 167 167 Pair time (%) = 0.147129 (90.0494) Neigh time (%) = 0 (0) Comm time (%) = 0.00134826 (0.825193) Outpt time (%) = 0.00107765 (0.659571) Other time (%) = 0.0138321 (8.46586) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2317 0 -2213.3374 -2213.3374 -3383.3993 3383.3993 2318 6.0019713e-16 -2213.3374 -2213.3374 -3383.3993 3383.3993 Loop time of 0.00207615 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736817 -2213.33736817 -2213.33736817 Force two-norm initial, final = 0.00925729 0.00925729 Force max component initial, final = 0.000808434 0.000808434 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018487 (89.0446) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.815342) Outpt time (%) = 0 (0) Other time (%) = 0.000210524 (10.1401) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.292 -2213.292 -3387.1767 3387.1767 2110 1.1938726e-10 -2213.292 -2213.292 -3387.1767 3387.1767 2120 1.3090119e-09 -2213.292 -2213.292 -3387.1767 3387.1767 2130 6.3915367e-09 -2213.292 -2213.292 -3387.1767 3387.1767 2140 3.4354098e-08 -2213.292 -2213.292 -3387.177 3387.177 2150 1.3504058e-07 -2213.2921 -2213.2921 -3387.178 3387.178 2160 6.4097834e-07 -2213.2924 -2213.2924 -3387.1824 3387.1824 2170 2.2869434e-06 -2213.2934 -2213.2934 -3387.1904 3387.1904 2180 8.744053e-06 -2213.2974 -2213.2974 -3387.1447 3387.1447 2190 2.4271251e-05 -2213.3076 -2213.3076 -3386.8066 3386.8066 2200 4.9365464e-05 -2213.3287 -2213.3287 -3384.2044 3384.2044 2210 8.3869821e-07 -2213.337 -2213.337 -3383.2384 3383.2384 2220 1.2081684e-07 -2213.3372 -2213.3372 -3383.3321 3383.3321 2230 2.1528307e-07 -2213.3373 -2213.3373 -3383.3869 3383.3869 2240 4.000674e-08 -2213.3373 -2213.3373 -3383.2947 3383.2947 2250 1.8253537e-08 -2213.3374 -2213.3374 -3383.3921 3383.3921 2260 2.2172798e-08 -2213.3374 -2213.3374 -3383.4445 3383.4445 2267 5.2514706e-09 -2213.3374 -2213.3374 -3383.3826 3383.3826 Loop time of 0.161479 on 1 procs for 167 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29197462 -2213.33738334 -2213.33738426 Force two-norm initial, final = 0.371787 0.0074964 Force max component initial, final = 0.0378451 0.000590821 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 167 167 Pair time (%) = 0.146873 (90.9546) Neigh time (%) = 0 (0) Comm time (%) = 0.00132537 (0.820769) Outpt time (%) = 0.00106001 (0.656438) Other time (%) = 0.0122211 (7.56823) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2267 0 -2213.3374 -2213.3374 -3383.3826 3383.3826 2268 3.9357931e-16 -2213.3374 -2213.3374 -3383.3826 3383.3826 Loop time of 0.00207305 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738426 -2213.33738426 -2213.33738426 Force two-norm initial, final = 0.0074964 0.0074964 Force max component initial, final = 0.000590821 0.000590821 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (89.1892) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.770558) Outpt time (%) = 0 (0) Other time (%) = 0.000208139 (10.0403) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.2897 -2213.2897 -3388.0824 3388.0824 2160 7.5667231e-11 -2213.2897 -2213.2897 -3388.0824 3388.0824 2170 8.2966112e-10 -2213.2897 -2213.2897 -3388.0824 3388.0824 2180 4.0513425e-09 -2213.2897 -2213.2897 -3388.0824 3388.0824 2190 2.1785029e-08 -2213.2897 -2213.2897 -3388.0827 3388.0827 2200 8.578196e-08 -2213.2898 -2213.2898 -3388.0838 3388.0838 2210 4.1040272e-07 -2213.29 -2213.29 -3388.089 3388.089 2220 1.5076617e-06 -2213.2907 -2213.2907 -3388.102 3388.102 2230 6.3251838e-06 -2213.2936 -2213.2936 -3388.0752 3388.0752 2240 1.9315267e-05 -2213.3017 -2213.3017 -3387.3207 3387.3207 2250 6.137661e-05 -2213.3272 -2213.3272 -3384.61 3384.61 2260 2.0777759e-07 -2213.3372 -2213.3372 -3383.3045 3383.3045 2270 3.6124175e-08 -2213.3372 -2213.3372 -3383.6502 3383.6502 2280 1.6046512e-08 -2213.3373 -2213.3373 -3383.3832 3383.3832 2290 4.2453986e-08 -2213.3373 -2213.3373 -3383.4415 3383.4415 2300 9.6157244e-08 -2213.3374 -2213.3374 -3383.4752 3383.4752 2307 5.4837696e-08 -2213.3374 -2213.3374 -3383.396 3383.396 Loop time of 0.152832 on 1 procs for 157 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28972971 -2213.33737707 -2213.3373827 Force two-norm initial, final = 0.295984 0.0054 Force max component initial, final = 0.0346455 0.00042327 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 157 157 Pair time (%) = 0.138704 (90.7556) Neigh time (%) = 0 (0) Comm time (%) = 0.00126481 (0.827582) Outpt time (%) = 0.000992537 (0.64943) Other time (%) = 0.0118711 (7.76742) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2307 0 -2213.3374 -2213.3374 -3383.396 3383.396 2308 2.042271e-16 -2213.3374 -2213.3374 -3383.396 3383.396 Loop time of 0.00214696 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373827 -2213.3373827 -2213.3373827 Force two-norm initial, final = 0.0054 0.0054 Force max component initial, final = 0.00042327 0.00042327 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (86.1299) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.799556) Outpt time (%) = 0 (0) Other time (%) = 0.000280619 (13.0705) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.2777 -2213.2777 -3383.074 3383.074 2210 2.2784146e-10 -2213.2777 -2213.2777 -3383.0741 3383.0741 2220 2.4980833e-09 -2213.2777 -2213.2777 -3383.0751 3383.0751 2230 1.2195914e-08 -2213.2777 -2213.2777 -3383.0795 3383.0795 2240 6.5508964e-08 -2213.2778 -2213.2778 -3383.1034 3383.1034 2250 2.5684572e-07 -2213.2779 -2213.2779 -3383.1901 3383.1901 2260 1.2038583e-06 -2213.2785 -2213.2785 -3383.6221 3383.6221 2270 4.0843854e-06 -2213.2803 -2213.2803 -3385.0106 3385.0106 2280 1.1939748e-05 -2213.2856 -2213.2856 -3389.3626 3389.3626 2290 2.6435582e-05 -2213.2963 -2213.2963 -3387.9686 3387.9686 2300 6.8103171e-05 -2213.3253 -2213.3253 -3384.0194 3384.0194 2310 2.0528733e-06 -2213.3369 -2213.3369 -3383.1831 3383.1831 2320 2.3720349e-07 -2213.3371 -2213.3371 -3383.2984 3383.2984 2330 3.1025386e-07 -2213.3372 -2213.3372 -3383.3906 3383.3906 2340 6.4778553e-07 -2213.3372 -2213.3372 -3383.4241 3383.4241 2350 1.1859921e-08 -2213.3374 -2213.3374 -3383.4075 3383.4075 2357 2.5218909e-08 -2213.3374 -2213.3374 -3383.419 3383.419 Loop time of 0.154384 on 1 procs for 157 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27772946 -2213.33736658 -2213.33736987 Force two-norm initial, final = 0.513608 0.00964374 Force max component initial, final = 0.122736 0.000836295 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 157 157 Pair time (%) = 0.139555 (90.3948) Neigh time (%) = 0 (0) Comm time (%) = 0.00125289 (0.811542) Outpt time (%) = 0.000991344 (0.642129) Other time (%) = 0.0125847 (8.15155) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2357 0 -2213.3374 -2213.3374 -3383.419 3383.419 2358 6.5135351e-16 -2213.3374 -2213.3374 -3383.419 3383.419 Loop time of 0.00209785 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736987 -2213.33736987 -2213.33736987 Force two-norm initial, final = 0.00964374 0.00964374 Force max component initial, final = 0.000836295 0.000836295 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186491 (88.8965) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.76145) Outpt time (%) = 0 (0) Other time (%) = 0.000216961 (10.3421) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.2067 -2213.2067 -3392.9048 3392.9048 2160 5.3853547e-10 -2213.2067 -2213.2067 -3392.9048 3392.9048 2170 5.904725e-09 -2213.2067 -2213.2067 -3392.905 3392.905 2180 2.8831222e-08 -2213.2068 -2213.2068 -3392.9061 3392.9061 2190 1.5496546e-07 -2213.2068 -2213.2068 -3392.9117 3392.9117 2200 6.092021e-07 -2213.2071 -2213.2071 -3392.9319 3392.9319 2210 2.8907332e-06 -2213.2085 -2213.2085 -3393.0318 3393.0318 2220 1.0286243e-05 -2213.2131 -2213.2131 -3393.3432 3393.3432 2230 3.5693244e-05 -2213.2288 -2213.2288 -3394.1288 3394.1288 2240 5.6702839e-05 -2213.2511 -2213.2511 -3392.9304 3392.9304 2250 0.00013295998 -2213.3121 -2213.3121 -3385.2548 3385.2548 2260 1.1234965e-06 -2213.3362 -2213.3362 -3382.8413 3382.8413 2270 1.6471607e-07 -2213.3369 -2213.3369 -3383.1809 3383.1809 2280 3.6499402e-07 -2213.3371 -2213.3371 -3383.3254 3383.3254 2290 1.8737819e-08 -2213.3373 -2213.3373 -3383.4193 3383.4193 2300 9.402844e-08 -2213.3373 -2213.3373 -3383.4201 3383.4201 2310 2.1573708e-08 -2213.3374 -2213.3374 -3383.3922 3383.3922 2320 2.5686528e-08 -2213.3374 -2213.3374 -3383.4296 3383.4296 2330 1.4354148e-10 -2213.3374 -2213.3374 -3383.3963 3383.3963 2334 7.4082997e-10 -2213.3374 -2213.3374 -3383.3955 3383.3955 Loop time of 0.178537 on 1 procs for 184 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.20674529 -2213.33738028 -2213.33738039 Force two-norm initial, final = 0.789627 0.00417051 Force max component initial, final = 0.123951 0.000472641 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 184 184 Pair time (%) = 0.162097 (90.7917) Neigh time (%) = 0 (0) Comm time (%) = 0.00145698 (0.816063) Outpt time (%) = 0.00119543 (0.66957) Other time (%) = 0.0137877 (7.72262) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2334 0 -2213.3374 -2213.3374 -3383.3955 3383.3955 2340 4.3853733e-15 -2213.3374 -2213.3374 -3383.3955 3383.3955 2350 6.7450888e-14 -2213.3374 -2213.3374 -3383.3955 3383.3955 2360 4.3759308e-13 -2213.3374 -2213.3374 -3383.3955 3383.3955 2370 2.1596347e-12 -2213.3374 -2213.3374 -3383.3955 3383.3955 2380 9.8967911e-12 -2213.3374 -2213.3374 -3383.3955 3383.3955 2390 4.2309269e-11 -2213.3374 -2213.3374 -3383.3954 3383.3954 2400 1.7824831e-10 -2213.3374 -2213.3374 -3383.3953 3383.3953 2410 6.8998424e-10 -2213.3374 -2213.3374 -3383.3949 3383.3949 2420 2.3390526e-09 -2213.3374 -2213.3374 -3383.3943 3383.3943 2430 6.4000454e-09 -2213.3374 -2213.3374 -3383.3965 3383.3965 2440 5.6743029e-09 -2213.3374 -2213.3374 -3383.3956 3383.3956 2450 3.0443393e-11 -2213.3374 -2213.3374 -3383.3937 3383.3937 2460 1.844034e-11 -2213.3374 -2213.3374 -3383.3954 3383.3954 2470 3.8711599e-12 -2213.3374 -2213.3374 -3383.3949 3383.3949 2480 5.1067187e-12 -2213.3374 -2213.3374 -3383.3945 3383.3945 2490 2.3816184e-13 -2213.3374 -2213.3374 -3383.3945 3383.3945 2500 1.7909435e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2510 5.7025949e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2520 2.2820907e-15 -2213.3374 -2213.3374 -3383.3946 3383.3946 2530 9.4193307e-14 -2213.3374 -2213.3374 -3383.3946 3383.3946 2534 1.5685761e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 Loop time of 0.193662 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33738039 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00417051 1.43068e-05 Force max component initial, final = 0.000472641 1.02309e-06 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.174654 (90.1848) Neigh time (%) = 0 (0) Comm time (%) = 0.00161481 (0.833829) Outpt time (%) = 0.00140166 (0.723768) Other time (%) = 0.0159919 (8.25765) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.2835 -2213.2835 -3384.5423 3384.5423 2210 1.93982e-10 -2213.2835 -2213.2835 -3384.5424 3384.5424 2220 2.1268502e-09 -2213.2835 -2213.2835 -3384.543 3384.543 2230 1.0383704e-08 -2213.2835 -2213.2835 -3384.5456 3384.5456 2240 5.5779481e-08 -2213.2835 -2213.2835 -3384.5598 3384.5598 2250 2.1878604e-07 -2213.2836 -2213.2836 -3384.6116 3384.6116 2260 1.0272297e-06 -2213.2841 -2213.2841 -3384.8693 3384.8693 2270 3.5191903e-06 -2213.2857 -2213.2857 -3385.6966 3385.6966 2280 1.110367e-05 -2213.2906 -2213.2906 -3388.3242 3388.3242 2290 2.6094981e-05 -2213.3011 -2213.3011 -3388.1686 3388.1686 2300 6.3306989e-05 -2213.3272 -2213.3272 -3383.6684 3383.6684 2310 2.4103839e-06 -2213.3364 -2213.3364 -3382.4776 3382.4776 2320 4.6444278e-07 -2213.3369 -2213.3369 -3383.0553 3383.0553 2330 5.9922816e-07 -2213.3371 -2213.3371 -3383.2018 3383.2018 2340 1.4048064e-07 -2213.3372 -2213.3372 -3382.9945 3382.9945 2350 3.764856e-08 -2213.3372 -2213.3372 -3383.1261 3383.1261 2360 1.5366102e-07 -2213.3373 -2213.3373 -3383.1959 3383.1959 2363 2.0525588e-07 -2213.3373 -2213.3373 -3383.3708 3383.3708 Loop time of 0.158804 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28349281 -2213.3373308 -2213.33734424 Force two-norm initial, final = 0.47391 0.00972614 Force max component initial, final = 0.0556212 0.000827919 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.14381 (90.5581) Neigh time (%) = 0 (0) Comm time (%) = 0.0013144 (0.827688) Outpt time (%) = 0.00107527 (0.677104) Other time (%) = 0.0126045 (7.93713) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2363 0 -2213.3373 -2213.3373 -3383.3708 3383.3708 2364 6.6253267e-16 -2213.3373 -2213.3373 -3383.3708 3383.3708 Loop time of 0.00207996 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734424 -2213.33734424 -2213.33734424 Force two-norm initial, final = 0.00972614 0.00972614 Force max component initial, final = 0.000827919 0.000827919 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184679 (88.7895) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.825309) Outpt time (%) = 0 (0) Other time (%) = 0.000216007 (10.3851) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.2812 -2213.2812 -3390.7106 3390.7106 2260 5.7153538e-10 -2213.2812 -2213.2812 -3390.7106 3390.7106 2270 6.2663006e-09 -2213.2812 -2213.2812 -3390.7099 3390.7099 2280 3.0591029e-08 -2213.2812 -2213.2812 -3390.7072 3390.7072 2290 1.6426143e-07 -2213.2813 -2213.2813 -3390.6921 3390.6921 2300 6.4331066e-07 -2213.2815 -2213.2815 -3390.637 3390.637 2310 2.9962622e-06 -2213.283 -2213.283 -3390.3551 3390.3551 2320 9.9416539e-06 -2213.2873 -2213.2873 -3389.3624 3389.3624 2330 2.3727299e-05 -2213.2973 -2213.2973 -3385.3803 3385.3803 2340 2.9161011e-05 -2213.3081 -2213.3081 -3388.4972 3388.4972 2350 4.71686e-05 -2213.3279 -2213.3279 -3384.2816 3384.2816 2360 7.6595158e-06 -2213.3355 -2213.3355 -3382.3352 3382.3352 2370 7.4359546e-07 -2213.3359 -2213.3359 -3383.0286 3383.0286 2380 1.3497593e-06 -2213.3365 -2213.3365 -3383.4245 3383.4245 2390 2.8029821e-07 -2213.3369 -2213.3369 -3383.0612 3383.0612 2400 3.4577457e-08 -2213.337 -2213.337 -3383.4848 3383.4848 2410 2.2085916e-07 -2213.3371 -2213.3371 -3383.4228 3383.4228 2420 4.182042e-07 -2213.3373 -2213.3373 -3383.7451 3383.7451 2430 2.969376e-09 -2213.3374 -2213.3374 -3383.4845 3383.4845 Loop time of 0.175577 on 1 procs for 180 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2811526 -2213.33737787 -2213.33737848 Force two-norm initial, final = 0.813462 0.00945875 Force max component initial, final = 0.104009 0.000914002 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 180 180 Pair time (%) = 0.158858 (90.4775) Neigh time (%) = 0 (0) Comm time (%) = 0.00143743 (0.818686) Outpt time (%) = 0.001127 (0.641886) Other time (%) = 0.0141549 (8.06193) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2430 0 -2213.3374 -2213.3374 -3383.4845 3383.4845 2431 6.2660421e-16 -2213.3374 -2213.3374 -3383.4845 3383.4845 Loop time of 0.00207615 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737848 -2213.33737848 -2213.33737848 Force two-norm initial, final = 0.00945875 0.00945875 Force max component initial, final = 0.000914002 0.000914002 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184679 (88.9527) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.815342) Outpt time (%) = 0 (0) Other time (%) = 0.000212431 (10.232) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.2824 -2213.2824 -3389.8226 3389.8226 2210 1.6285677e-10 -2213.2824 -2213.2824 -3389.8226 3389.8226 2220 1.7856434e-09 -2213.2824 -2213.2824 -3389.8227 3389.8227 2230 8.7191933e-09 -2213.2824 -2213.2824 -3389.8228 3389.8228 2240 4.68748e-08 -2213.2824 -2213.2824 -3389.8235 3389.8235 2250 1.8443635e-07 -2213.2825 -2213.2825 -3389.8259 3389.8259 2260 8.7874825e-07 -2213.2829 -2213.2829 -3389.837 3389.837 2270 3.1841515e-06 -2213.2843 -2213.2843 -3389.859 3389.859 2280 1.2380617e-05 -2213.2897 -2213.2897 -3389.6569 3389.6569 2290 2.7490248e-05 -2213.3005 -2213.3005 -3387.6785 3387.6785 2300 5.9574405e-05 -2213.3274 -2213.3274 -3384.5567 3384.5567 2310 4.5381743e-07 -2213.3364 -2213.3364 -3382.9765 3382.9765 2320 1.841444e-07 -2213.3368 -2213.3368 -3383.0158 3383.0158 2330 4.6965419e-07 -2213.337 -2213.337 -3383.153 3383.153 2340 9.339127e-07 -2213.3373 -2213.3373 -3383.7857 3383.7857 2350 1.7008704e-08 -2213.3374 -2213.3374 -3383.4141 3383.4141 2360 3.099772e-09 -2213.3374 -2213.3374 -3383.5325 3383.5325 2370 4.8881955e-09 -2213.3374 -2213.3374 -3383.4413 3383.4413 2378 1.2916382e-08 -2213.3374 -2213.3374 -3383.4578 3383.4578 Loop time of 0.17282 on 1 procs for 178 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28238469 -2213.33738414 -2213.33738525 Force two-norm initial, final = 0.434228 0.00586713 Force max component initial, final = 0.0418507 0.000561361 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 178 178 Pair time (%) = 0.156806 (90.7334) Neigh time (%) = 0 (0) Comm time (%) = 0.0014205 (0.821952) Outpt time (%) = 0.00113153 (0.654747) Other time (%) = 0.0134625 (7.78992) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2378 0 -2213.3374 -2213.3374 -3383.4578 3383.4578 2380 9.6435804e-16 -2213.3374 -2213.3374 -3383.4578 3383.4578 2390 5.0598576e-14 -2213.3374 -2213.3374 -3383.4578 3383.4578 2400 4.7449255e-13 -2213.3374 -2213.3374 -3383.4578 3383.4578 2410 2.1917356e-12 -2213.3374 -2213.3374 -3383.4577 3383.4577 2420 1.1634279e-11 -2213.3374 -2213.3374 -3383.4575 3383.4575 2430 4.4388819e-11 -2213.3374 -2213.3374 -3383.4569 3383.4569 2440 2.0008789e-10 -2213.3374 -2213.3374 -3383.4538 3383.4538 2450 5.6430805e-10 -2213.3374 -2213.3374 -3383.4441 3383.4441 2460 8.4080499e-10 -2213.3374 -2213.3374 -3383.4152 3383.4152 2470 2.0375068e-09 -2213.3374 -2213.3374 -3383.4216 3383.4216 2480 3.1198211e-09 -2213.3374 -2213.3374 -3383.4045 3383.4045 2490 9.140593e-10 -2213.3374 -2213.3374 -3383.3966 3383.3966 2500 7.5181601e-09 -2213.3374 -2213.3374 -3383.4322 3383.4322 2510 1.0699781e-10 -2213.3374 -2213.3374 -3383.389 3383.389 2520 1.099664e-11 -2213.3374 -2213.3374 -3383.3966 3383.3966 2530 2.8641595e-12 -2213.3374 -2213.3374 -3383.3923 3383.3923 2540 6.15606e-11 -2213.3374 -2213.3374 -3383.3942 3383.3942 2550 1.042549e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2560 3.4205551e-13 -2213.3374 -2213.3374 -3383.3944 3383.3944 2570 1.458187e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2578 1.7972522e-12 -2213.3374 -2213.3374 -3383.3949 3383.3949 Loop time of 0.198219 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33738525 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00586713 0.000252892 Force max component initial, final = 0.000561361 1.4302e-05 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.175363 (88.4693) Neigh time (%) = 0 (0) Comm time (%) = 0.00161004 (0.812254) Outpt time (%) = 0.00140572 (0.709174) Other time (%) = 0.0198402 (10.0093) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.2704 -2213.2704 -3394.6081 3394.6081 2260 3.8046885e-10 -2213.2704 -2213.2704 -3394.6081 3394.6081 2270 4.1713808e-09 -2213.2704 -2213.2704 -3394.6076 3394.6076 2280 2.0362025e-08 -2213.2704 -2213.2704 -3394.6058 3394.6058 2290 1.0928659e-07 -2213.2705 -2213.2705 -3394.5956 3394.5956 2300 4.2713783e-07 -2213.2707 -2213.2707 -3394.5585 3394.5585 2310 1.9724761e-06 -2213.2716 -2213.2716 -3394.3661 3394.3661 2320 6.3063818e-06 -2213.2744 -2213.2744 -3393.6579 3393.6579 2330 1.4434341e-05 -2213.2806 -2213.2806 -3390.2877 3390.2877 2340 3.3119086e-05 -2213.2933 -2213.2933 -3389.1076 3389.1076 2350 6.9561554e-05 -2213.3242 -2213.3242 -3384.5191 3384.5191 2360 3.5734061e-06 -2213.3362 -2213.3362 -3381.0981 3381.0981 2370 5.5246322e-07 -2213.3369 -2213.3369 -3382.866 3382.866 2380 6.0650441e-07 -2213.3371 -2213.3371 -3383.2609 3383.2609 2390 1.211644e-07 -2213.3373 -2213.3373 -3383.2764 3383.2764 2400 3.0504448e-08 -2213.3373 -2213.3373 -3383.3148 3383.3148 2410 7.5657533e-08 -2213.3373 -2213.3373 -3383.3499 3383.3499 2414 1.0406875e-07 -2213.3374 -2213.3374 -3383.3778 3383.3778 Loop time of 0.160108 on 1 procs for 164 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27039945 -2213.33734437 -2213.33735505 Force two-norm initial, final = 0.663706 0.00969775 Force max component initial, final = 0.0613998 0.000954685 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 164 164 Pair time (%) = 0.144464 (90.2294) Neigh time (%) = 0 (0) Comm time (%) = 0.00132394 (0.826903) Outpt time (%) = 0.00106406 (0.66459) Other time (%) = 0.0132556 (8.27915) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2414 0 -2213.3374 -2213.3374 -3383.3778 3383.3778 2415 6.5867017e-16 -2213.3374 -2213.3374 -3383.3778 3383.3778 Loop time of 0.00207591 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735505 -2213.33735505 -2213.33735505 Force two-norm initial, final = 0.00969775 0.00969775 Force max component initial, final = 0.000954685 0.000954685 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184393 (88.8251) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.872861) Outpt time (%) = 0 (0) Other time (%) = 0.000213861 (10.3021) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.2888 -2213.2888 -3395.0146 3395.0146 2310 1.6578344e-10 -2213.2888 -2213.2888 -3395.0145 3395.0145 2320 1.8177338e-09 -2213.2888 -2213.2888 -3395.0137 3395.0137 2330 8.8759224e-09 -2213.2889 -2213.2889 -3395.0102 3395.0102 2340 4.7718119e-08 -2213.2889 -2213.2889 -3394.991 3394.991 2350 1.877725e-07 -2213.289 -2213.289 -3394.9212 3394.9212 2360 8.9512604e-07 -2213.2894 -2213.2894 -3394.5711 3394.5711 2370 3.2623302e-06 -2213.2908 -2213.2908 -3393.4145 3393.4145 2380 1.3693544e-05 -2213.2968 -2213.2968 -3389.2977 3389.2977 2390 3.7966572e-05 -2213.3116 -2213.3116 -3388.9208 3388.9208 2400 4.769631e-05 -2213.3325 -2213.3325 -3384.5035 3384.5035 2410 1.6504902e-06 -2213.3344 -2213.3344 -3385.1739 3385.1739 2420 9.6376172e-07 -2213.3352 -2213.3352 -3381.3805 3381.3805 2430 2.0352757e-06 -2213.3362 -2213.3362 -3382.9458 3382.9458 2440 4.1743055e-07 -2213.3371 -2213.3371 -3385.2352 3385.2352 2450 9.2182802e-08 -2213.3373 -2213.3373 -3382.786 3382.786 2460 1.9141428e-07 -2213.3373 -2213.3373 -3383.2308 3383.2308 2470 1.3670279e-10 -2213.3373 -2213.3373 -3383.528 3383.528 2478 8.872213e-09 -2213.3374 -2213.3374 -3383.3854 3383.3854 Loop time of 0.173742 on 1 procs for 178 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2888478 -2213.3373519 -2213.33735283 Force two-norm initial, final = 0.438112 0.00970328 Force max component initial, final = 0.0498683 0.000987393 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 178 178 Pair time (%) = 0.156807 (90.2529) Neigh time (%) = 0 (0) Comm time (%) = 0.00146103 (0.84092) Outpt time (%) = 0.0011301 (0.65045) Other time (%) = 0.0143437 (8.25578) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2478 0 -2213.3374 -2213.3374 -3383.3854 3383.3854 2479 6.5942138e-16 -2213.3374 -2213.3374 -3383.3854 3383.3854 Loop time of 0.00208998 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735283 -2213.33735283 -2213.33735283 Force two-norm initial, final = 0.00970328 0.00970328 Force max component initial, final = 0.000987393 0.000987393 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (89.1399) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.764317) Outpt time (%) = 0 (0) Other time (%) = 0.000211 (10.0958) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.2943 -2213.2943 -3390.9182 3390.9182 2260 2.6977595e-10 -2213.2943 -2213.2943 -3390.9183 3390.9183 2270 2.9578644e-09 -2213.2943 -2213.2943 -3390.9183 3390.9183 2280 1.444077e-08 -2213.2943 -2213.2943 -3390.9186 3390.9186 2290 7.7571024e-08 -2213.2944 -2213.2944 -3390.92 3390.92 2300 3.0420745e-07 -2213.2945 -2213.2945 -3390.9249 3390.9249 2310 1.4273152e-06 -2213.2952 -2213.2952 -3390.9453 3390.9453 2320 4.8664367e-06 -2213.2973 -2213.2973 -3390.9582 3390.9582 2330 1.4459106e-05 -2213.3037 -2213.3037 -3390.079 3390.079 2340 2.3605998e-05 -2213.313 -2213.313 -3385.2716 3385.2716 2350 4.4014157e-05 -2213.3317 -2213.3317 -3384.7454 3384.7454 2360 1.311336e-06 -2213.3357 -2213.3357 -3383.959 3383.959 2370 2.9999315e-06 -2213.3364 -2213.3364 -3386.695 3386.695 2380 4.7585687e-08 -2213.3372 -2213.3372 -3383.7973 3383.7973 2390 1.2058375e-07 -2213.3373 -2213.3373 -3383.0017 3383.0017 2400 8.773781e-10 -2213.3374 -2213.3374 -3383.588 3383.588 2410 2.4717308e-08 -2213.3374 -2213.3374 -3383.2639 3383.2639 2415 3.2856391e-08 -2213.3374 -2213.3374 -3383.4059 3383.4059 Loop time of 0.160708 on 1 procs for 165 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29433424 -2213.33737577 -2213.33737767 Force two-norm initial, final = 0.558878 0.00983737 Force max component initial, final = 0.0743325 0.00084201 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 165 165 Pair time (%) = 0.145324 (90.4274) Neigh time (%) = 0 (0) Comm time (%) = 0.00131392 (0.817585) Outpt time (%) = 0.00106406 (0.662109) Other time (%) = 0.013006 (8.09292) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2415 0 -2213.3374 -2213.3374 -3383.4059 3383.4059 2416 6.7777304e-16 -2213.3374 -2213.3374 -3383.4059 3383.4059 Loop time of 0.00207686 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737767 -2213.33737767 -2213.33737767 Force two-norm initial, final = 0.00983737 0.00983737 Force max component initial, final = 0.00084201 0.00084201 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (89.0828) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.780622) Outpt time (%) = 0 (0) Other time (%) = 0.000210524 (10.1366) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.253 -2213.253 -3397.9261 3397.9261 2310 3.9320043e-10 -2213.253 -2213.253 -3397.926 3397.926 2320 4.3110783e-09 -2213.253 -2213.253 -3397.9252 3397.9252 2330 2.1046758e-08 -2213.253 -2213.253 -3397.9217 3397.9217 2340 1.1303679e-07 -2213.253 -2213.253 -3397.9027 3397.9027 2350 4.4303254e-07 -2213.2533 -2213.2533 -3397.8334 3397.8334 2360 2.0719095e-06 -2213.2542 -2213.2542 -3397.4812 3397.4812 2370 6.9827717e-06 -2213.2573 -2213.2573 -3396.2628 3396.2628 2380 1.9181655e-05 -2213.2655 -2213.2655 -3391.2486 3391.2486 2390 3.6580426e-05 -2213.2799 -2213.2799 -3390.2973 3390.2973 2400 8.9822276e-05 -2213.3203 -2213.3203 -3385.2083 3385.2083 2410 3.3585597e-06 -2213.3341 -2213.3341 -3386.8716 3386.8716 2420 1.2774035e-06 -2213.3367 -2213.3367 -3382.7641 3382.7641 2430 8.5441513e-08 -2213.3367 -2213.3367 -3383.7068 3383.7068 2440 3.1291088e-07 -2213.3369 -2213.3369 -3382.7736 3382.7736 2450 7.5747391e-07 -2213.3372 -2213.3372 -3382.744 3382.744 2460 8.1393714e-10 -2213.3373 -2213.3373 -3383.3598 3383.3598 2463 3.061523e-09 -2213.3373 -2213.3373 -3383.3934 3383.3934 Loop time of 0.159689 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25297963 -2213.33733419 -2213.33733469 Force two-norm initial, final = 0.674719 0.00979413 Force max component initial, final = 0.0706247 0.000843463 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.144154 (90.2715) Neigh time (%) = 0 (0) Comm time (%) = 0.00130343 (0.816233) Outpt time (%) = 0.00106764 (0.668574) Other time (%) = 0.0131643 (8.2437) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2463 0 -2213.3373 -2213.3373 -3383.3934 3383.3934 2464 6.7182809e-16 -2213.3373 -2213.3373 -3383.3934 3383.3934 Loop time of 0.00207806 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733469 -2213.33733469 -2213.33733469 Force two-norm initial, final = 0.00979413 0.00979413 Force max component initial, final = 0.000843463 0.000843463 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185084 (89.0661) Neigh time (%) = 0 (0) Comm time (%) = 1.7643e-05 (0.849013) Outpt time (%) = 0 (0) Other time (%) = 0.00020957 (10.0849) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.2129 -2213.2129 -3398.0878 3398.0878 2360 3.7782073e-10 -2213.2129 -2213.2129 -3398.0878 3398.0878 2370 4.1425769e-09 -2213.2129 -2213.2129 -3398.0877 3398.0877 2380 2.0227e-08 -2213.2129 -2213.2129 -3398.0871 3398.0871 2390 1.0871504e-07 -2213.2129 -2213.2129 -3398.0839 3398.0839 2400 4.2733548e-07 -2213.2131 -2213.2131 -3398.072 3398.072 2410 2.0268073e-06 -2213.2141 -2213.2141 -3398.0098 3398.0098 2420 7.2127603e-06 -2213.2173 -2213.2173 -3397.7697 3397.7697 2430 2.5881639e-05 -2213.2287 -2213.2287 -3396.285 3396.285 2440 5.5239284e-05 -2213.2509 -2213.2509 -3392.4926 3392.4926 2450 0.00014503277 -2213.3136 -2213.3136 -3386.242 3386.242 2460 1.8360766e-06 -2213.3365 -2213.3365 -3383.3643 3383.3643 2470 3.4883093e-07 -2213.3368 -2213.3368 -3383.1679 3383.1679 2480 5.2572556e-07 -2213.337 -2213.337 -3383.3074 3383.3074 2490 1.1021963e-07 -2213.3372 -2213.3372 -3383.3814 3383.3814 2500 1.4759382e-08 -2213.3372 -2213.3372 -3383.3819 3383.3819 2510 1.0019496e-07 -2213.3373 -2213.3373 -3383.3839 3383.3839 2520 1.8536443e-07 -2213.3374 -2213.3374 -3383.417 3383.417 2521 2.1145972e-07 -2213.3374 -2213.3374 -3383.3898 3383.3898 Loop time of 0.167444 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.21287083 -2213.33736917 -2213.33738312 Force two-norm initial, final = 0.661391 0.0061839 Force max component initial, final = 0.162657 0.000610317 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.151793 (90.6533) Neigh time (%) = 0 (0) Comm time (%) = 0.00136805 (0.817017) Outpt time (%) = 0.00113463 (0.67762) Other time (%) = 0.0131478 (7.85208) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2521 0 -2213.3374 -2213.3374 -3383.3898 3383.3898 2522 2.6782459e-16 -2213.3374 -2213.3374 -3383.3898 3383.3898 Loop time of 0.0020771 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738312 -2213.33738312 -2213.33738312 Force two-norm initial, final = 0.0061839 0.0061839 Force max component initial, final = 0.000610317 0.000610317 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184608 (88.8774) Neigh time (%) = 0 (0) Comm time (%) = 1.45435e-05 (0.700184) Outpt time (%) = 0 (0) Other time (%) = 0.000216484 (10.4224) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.321 -2213.321 -3384.1861 3384.1861 2310 2.8364316e-10 -2213.321 -2213.321 -3384.1861 3384.1861 2320 3.1098077e-09 -2213.321 -2213.321 -3384.186 3384.186 2330 1.5180349e-08 -2213.321 -2213.321 -3384.1857 3384.1857 2340 8.1479333e-08 -2213.3211 -2213.3211 -3384.1841 3384.1841 2350 3.1857531e-07 -2213.3212 -2213.3212 -3384.1779 3384.1779 2360 1.472265e-06 -2213.3219 -2213.3219 -3384.1435 3384.1435 2370 4.7244727e-06 -2213.324 -2213.324 -3383.9895 3383.9895 2380 9.1643609e-06 -2213.3278 -2213.3278 -3383.0783 3383.0783 2390 9.1995019e-06 -2213.3311 -2213.3311 -3384.4913 3384.4913 2400 1.0965655e-05 -2213.3349 -2213.3349 -3383.2525 3383.2525 2410 3.6136741e-06 -2213.3367 -2213.3367 -3382.9829 3382.9829 2420 3.9218494e-07 -2213.3369 -2213.3369 -3383.1445 3383.1445 2430 5.4959582e-07 -2213.3371 -2213.3371 -3383.4823 3383.4823 2440 1.0911175e-08 -2213.3373 -2213.3373 -3383.4661 3383.4661 2450 1.9869453e-07 -2213.3373 -2213.3373 -3383.5191 3383.5191 2460 6.7329381e-09 -2213.3373 -2213.3373 -3383.3814 3383.3814 2470 8.4125272e-09 -2213.3374 -2213.3374 -3383.428 3383.428 2480 4.7018806e-08 -2213.3374 -2213.3374 -3383.4264 3383.4264 2486 4.7627267e-09 -2213.3374 -2213.3374 -3383.3882 3383.3882 Loop time of 0.183218 on 1 procs for 186 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32101676 -2213.33738021 -2213.33738133 Force two-norm initial, final = 0.573063 0.00964146 Force max component initial, final = 0.0497965 0.000574535 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 186 186 Pair time (%) = 0.163365 (89.1641) Neigh time (%) = 0 (0) Comm time (%) = 0.00145841 (0.795995) Outpt time (%) = 0.00119019 (0.649601) Other time (%) = 0.0172048 (9.39032) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2486 0 -2213.3374 -2213.3374 -3383.3882 3383.3882 2487 6.5104565e-16 -2213.3374 -2213.3374 -3383.3882 3383.3882 Loop time of 0.00212598 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738133 -2213.33738133 -2213.33738133 Force two-norm initial, final = 0.00964146 0.00964146 Force max component initial, final = 0.000574535 0.000574535 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (87.6304) Neigh time (%) = 0 (0) Comm time (%) = 1.64509e-05 (0.773803) Outpt time (%) = 0 (0) Other time (%) = 0.000246525 (11.5958) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.2884 -2213.2884 -3391.5951 3391.5951 2360 1.4803077e-10 -2213.2884 -2213.2884 -3391.595 3391.595 2370 1.6230599e-09 -2213.2884 -2213.2884 -3391.5946 3391.5946 2380 7.9247983e-09 -2213.2884 -2213.2884 -3391.5927 3391.5927 2390 4.2588797e-08 -2213.2884 -2213.2884 -3391.5823 3391.5823 2400 1.6735822e-07 -2213.2885 -2213.2885 -3391.5445 3391.5445 2410 7.9221493e-07 -2213.2889 -2213.2889 -3391.3536 3391.3536 2420 2.8140066e-06 -2213.2901 -2213.2901 -3390.709 3390.709 2430 1.032856e-05 -2213.2945 -2213.2945 -3388.2744 3388.2744 2440 2.5620395e-05 -2213.3048 -2213.3048 -3388.2161 3388.2161 2450 5.4612242e-05 -2213.3286 -2213.3286 -3383.9139 3383.9139 2460 1.0538263e-06 -2213.3363 -2213.3363 -3381.7735 3381.7735 2470 2.3473462e-07 -2213.3367 -2213.3367 -3382.8125 3382.8125 2480 7.13353e-07 -2213.337 -2213.337 -3383.0514 3383.0514 2490 1.486557e-08 -2213.3373 -2213.3373 -3383.5383 3383.5383 2500 1.0272717e-08 -2213.3374 -2213.3374 -3383.5446 3383.5446 2508 3.2088269e-08 -2213.3374 -2213.3374 -3383.4411 3383.4411 Loop time of 0.154269 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28840234 -2213.33737338 -2213.33737605 Force two-norm initial, final = 0.413991 0.00654944 Force max component initial, final = 0.0427926 0.000904343 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.139704 (90.559) Neigh time (%) = 0 (0) Comm time (%) = 0.00128293 (0.831619) Outpt time (%) = 0.000998259 (0.64709) Other time (%) = 0.0122833 (7.96228) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2508 0 -2213.3374 -2213.3374 -3383.4411 3383.4411 2509 3.0042353e-16 -2213.3374 -2213.3374 -3383.4411 3383.4411 Loop time of 0.00208092 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737605 -2213.33737605 -2213.33737605 Force two-norm initial, final = 0.00654944 0.00654944 Force max component initial, final = 0.000904343 0.000904343 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186706 (89.7227) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.710357) Outpt time (%) = 0 (0) Other time (%) = 0.00019908 (9.56691) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.2666 -2213.2666 -3392.032 3392.032 2410 1.417065e-10 -2213.2666 -2213.2666 -3392.032 3392.032 2420 1.5537212e-09 -2213.2666 -2213.2666 -3392.0318 3392.0318 2430 7.5863106e-09 -2213.2666 -2213.2666 -3392.0309 3392.0309 2440 4.0771637e-08 -2213.2666 -2213.2666 -3392.0258 3392.0258 2450 1.6024792e-07 -2213.2667 -2213.2667 -3392.0073 3392.0073 2460 7.593579e-07 -2213.267 -2213.267 -3391.9134 3391.9134 2470 2.7145433e-06 -2213.2682 -2213.2682 -3391.5916 3391.5916 2480 1.0650344e-05 -2213.2728 -2213.2728 -3390.3201 3390.3201 2490 3.1620575e-05 -2213.2857 -2213.2857 -3389.6306 3389.6306 2500 8.4012552e-05 -2213.3226 -2213.3226 -3385.2554 3385.2554 2510 2.3416687e-06 -2213.3366 -2213.3366 -3383.8313 3383.8313 2520 4.3007412e-07 -2213.337 -2213.337 -3383.1585 3383.1585 2530 4.4077854e-07 -2213.3371 -2213.3371 -3383.0361 3383.0361 2540 1.1869894e-07 -2213.3373 -2213.3373 -3383.3496 3383.3496 2550 3.0535678e-08 -2213.3373 -2213.3373 -3383.3101 3383.3101 2560 8.3344659e-08 -2213.3373 -2213.3373 -3383.3333 3383.3333 2564 1.1794961e-07 -2213.3374 -2213.3374 -3383.3622 3383.3622 Loop time of 0.160636 on 1 procs for 164 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26657097 -2213.33734143 -2213.3373522 Force two-norm initial, final = 0.405051 0.00861611 Force max component initial, final = 0.0330955 0.000849223 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 164 164 Pair time (%) = 0.145534 (90.5984) Neigh time (%) = 0 (0) Comm time (%) = 0.00129533 (0.806374) Outpt time (%) = 0.00107193 (0.667303) Other time (%) = 0.0127351 (7.92793) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2564 0 -2213.3374 -2213.3374 -3383.3622 3383.3622 2565 5.1993408e-16 -2213.3374 -2213.3374 -3383.3622 3383.3622 Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373522 -2213.3373522 -2213.3373522 Force two-norm initial, final = 0.00861611 0.00861611 Force max component initial, final = 0.000849223 0.000849223 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184798 (89.0612) Neigh time (%) = 0 (0) Comm time (%) = 1.78814e-05 (0.861772) Outpt time (%) = 0 (0) Other time (%) = 0.000209093 (10.077) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.307 -2213.307 -3381.196 3381.196 2360 2.0004396e-10 -2213.307 -2213.307 -3381.196 3381.196 2370 2.1933836e-09 -2213.307 -2213.307 -3381.1966 3381.1966 2380 1.0710449e-08 -2213.307 -2213.307 -3381.1992 3381.1992 2390 5.7582897e-08 -2213.307 -2213.307 -3381.2132 3381.2132 2400 2.2671904e-07 -2213.3071 -2213.3071 -3381.264 3381.264 2410 1.0816627e-06 -2213.3076 -2213.3076 -3381.5183 3381.5183 2420 3.9825727e-06 -2213.3093 -2213.3093 -3382.3506 3382.3506 2430 1.575876e-05 -2213.3156 -2213.3156 -3385.145 3385.145 2440 2.5668836e-05 -2213.3257 -2213.3257 -3384.8047 3384.8047 2450 1.7779371e-05 -2213.3333 -2213.3333 -3384.3171 3384.3171 2460 2.9339701e-08 -2213.3344 -2213.3344 -3383.9334 3383.9334 2470 1.2166139e-06 -2213.3351 -2213.3351 -3383.2905 3383.2905 2480 2.2260302e-06 -2213.3365 -2213.3365 -3383.6687 3383.6687 2490 2.1827314e-09 -2213.3367 -2213.3367 -3383.5007 3383.5007 2500 9.6719063e-08 -2213.3368 -2213.3368 -3383.4371 3383.4371 2510 5.7441764e-07 -2213.3371 -2213.3371 -3383.4399 3383.4399 2520 4.6452788e-09 -2213.3374 -2213.3374 -3383.3944 3383.3944 2522 1.3580054e-08 -2213.3374 -2213.3374 -3383.3977 3383.3977 Loop time of 0.166652 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30695658 -2213.33737278 -2213.3373741 Force two-norm initial, final = 0.481258 0.0058088 Force max component initial, final = 0.0519303 0.000900609 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.151401 (90.8484) Neigh time (%) = 0 (0) Comm time (%) = 0.00134706 (0.808309) Outpt time (%) = 0.00114441 (0.686705) Other time (%) = 0.0127599 (7.65662) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2522 0 -2213.3374 -2213.3374 -3383.3977 3383.3977 2523 2.3631925e-16 -2213.3374 -2213.3374 -3383.3977 3383.3977 Loop time of 0.00207806 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373741 -2213.3373741 -2213.3373741 Force two-norm initial, final = 0.0058088 0.0058088 Force max component initial, final = 0.000900609 0.000900609 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185061 (89.0546) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.757228) Outpt time (%) = 0 (0) Other time (%) = 0.000211716 (10.1882) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.2979 -2213.2979 -3388.9907 3388.9907 2410 9.2539914e-11 -2213.2979 -2213.2979 -3388.9907 3388.9907 2420 1.0146578e-09 -2213.2979 -2213.2979 -3388.9905 3388.9905 2430 4.9547544e-09 -2213.2979 -2213.2979 -3388.99 3388.99 2440 2.6640791e-08 -2213.2979 -2213.2979 -3388.9871 3388.9871 2450 1.0494347e-07 -2213.2979 -2213.2979 -3388.9764 3388.9764 2460 5.0171095e-07 -2213.2982 -2213.2982 -3388.9216 3388.9216 2470 1.875374e-06 -2213.299 -2213.299 -3388.7243 3388.7243 2480 8.3018506e-06 -2213.3022 -2213.3022 -3387.755 3387.755 2490 1.8120237e-05 -2213.3096 -2213.3096 -3386.2452 3386.2452 2500 3.686714e-05 -2213.3286 -2213.3286 -3384.1972 3384.1972 2510 9.7142361e-07 -2213.3361 -2213.3361 -3383.7998 3383.7998 2520 2.1916654e-07 -2213.3362 -2213.3362 -3383.6789 3383.6789 2530 5.976658e-07 -2213.3365 -2213.3365 -3383.4469 3383.4469 2540 6.4232587e-08 -2213.3369 -2213.3369 -3383.3532 3383.3532 2550 2.5842435e-08 -2213.3369 -2213.3369 -3383.3946 3383.3946 2560 2.4238754e-07 -2213.3371 -2213.3371 -3383.4487 3383.4487 2570 5.1341495e-07 -2213.3373 -2213.3373 -3383.3866 3383.3866 2571 4.9862975e-07 -2213.3374 -2213.3374 -3383.3707 3383.3707 Loop time of 0.16609 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29785881 -2213.33733725 -2213.33736148 Force two-norm initial, final = 0.327325 0.00728645 Force max component initial, final = 0.0334638 0.000745569 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.150871 (90.8369) Neigh time (%) = 0 (0) Comm time (%) = 0.00138044 (0.831142) Outpt time (%) = 0.00114131 (0.687163) Other time (%) = 0.0126972 (7.64478) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2571 0 -2213.3374 -2213.3374 -3383.3708 3383.3708 2572 3.7184176e-16 -2213.3374 -2213.3374 -3383.3708 3383.3708 Loop time of 0.00206184 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736148 -2213.33736148 -2213.33736148 Force two-norm initial, final = 0.00728645 0.00728645 Force max component initial, final = 0.000745569 0.000745569 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184774 (89.6161) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.774746) Outpt time (%) = 0 (0) Other time (%) = 0.000198126 (9.60916) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2450 0 -2213.3247 -2213.3247 -3387.0849 3387.0849 2460 5.6092548e-11 -2213.3247 -2213.3247 -3387.0848 3387.0848 2470 6.1500579e-10 -2213.3247 -2213.3247 -3387.0844 3387.0844 2480 3.0026021e-09 -2213.3247 -2213.3247 -3387.0827 3387.0827 2490 1.612875e-08 -2213.3247 -2213.3247 -3387.0732 3387.0732 2500 6.3278969e-08 -2213.3247 -2213.3247 -3387.0385 3387.0385 2510 2.9694544e-07 -2213.3249 -2213.3249 -3386.8638 3386.8638 2520 1.026956e-06 -2213.3253 -2213.3253 -3386.2744 3386.2744 2530 3.2447357e-06 -2213.3265 -2213.3265 -3384.1209 3384.1209 2540 5.5907052e-06 -2213.3288 -2213.3288 -3384.6505 3384.6505 2550 1.0001271e-05 -2213.3343 -2213.3343 -3382.4508 3382.4508 2560 7.5548327e-09 -2213.3357 -2213.3357 -3383.1118 3383.1118 2570 3.204618e-07 -2213.3359 -2213.3359 -3383.689 3383.689 2580 1.0287847e-06 -2213.3364 -2213.3364 -3383.2458 3383.2458 2590 3.2440247e-08 -2213.3371 -2213.3371 -3383.4046 3383.4046 2600 3.484166e-08 -2213.3371 -2213.3371 -3383.4106 3383.4106 2610 2.0187976e-07 -2213.3373 -2213.3373 -3383.4194 3383.4194 2620 7.284236e-10 -2213.3373 -2213.3373 -3383.4116 3383.4116 2630 2.098292e-08 -2213.3373 -2213.3373 -3383.3999 3383.3999 2633 3.27521e-08 -2213.3373 -2213.3373 -3383.4015 3383.4015 Loop time of 0.180108 on 1 procs for 183 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3246928 -2213.33731494 -2213.3373181 Force two-norm initial, final = 0.25484 0.00911541 Force max component initial, final = 0.0303204 0.000586904 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 183 183 Pair time (%) = 0.161704 (89.7817) Neigh time (%) = 0 (0) Comm time (%) = 0.0014596 (0.810402) Outpt time (%) = 0.0012126 (0.673261) Other time (%) = 0.0157318 (8.73465) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2633 0 -2213.3373 -2213.3373 -3383.4015 3383.4015 2634 5.8194051e-16 -2213.3373 -2213.3373 -3383.4015 3383.4015 Loop time of 0.0020771 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373181 -2213.3373181 -2213.3373181 Force two-norm initial, final = 0.00911541 0.00911541 Force max component initial, final = 0.000586904 0.000586904 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184822 (88.9807) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.769054) Outpt time (%) = 0 (0) Other time (%) = 0.000212908 (10.2502) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.2993 -2213.2993 -3391.0348 3391.0348 2410 2.1453945e-10 -2213.2993 -2213.2993 -3391.0347 3391.0347 2420 2.3521978e-09 -2213.2993 -2213.2993 -3391.034 3391.034 2430 1.148283e-08 -2213.2993 -2213.2993 -3391.0311 3391.0311 2440 6.1652875e-08 -2213.2993 -2213.2993 -3391.0149 3391.0149 2450 2.4136852e-07 -2213.2994 -2213.2994 -3390.9559 3390.9559 2460 1.1226345e-06 -2213.3 -2213.3 -3390.6568 3390.6568 2470 3.7184865e-06 -2213.3016 -2213.3016 -3389.6287 3389.6287 2480 1.0255477e-05 -2213.3057 -2213.3057 -3385.5647 3385.5647 2490 2.1350324e-05 -2213.3139 -2213.3139 -3385.7123 3385.7123 2500 3.1461397e-05 -2213.3296 -2213.3296 -3383.4416 3383.4416 2510 1.8134992e-06 -2213.3358 -2213.3358 -3381.0189 3381.0189 2520 9.0034198e-07 -2213.3371 -2213.3371 -3383.7695 3383.7695 2530 7.9226255e-08 -2213.3371 -2213.3371 -3383.3007 3383.3007 2540 2.690817e-07 -2213.3372 -2213.3372 -3383.6796 3383.6796 2550 6.1671634e-09 -2213.3373 -2213.3373 -3383.5917 3383.5917 2560 2.6129474e-08 -2213.3374 -2213.3374 -3383.2737 3383.2737 2569 1.4131302e-08 -2213.3374 -2213.3374 -3383.446 3383.446 Loop time of 0.168043 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29928929 -2213.33737263 -2213.33737403 Force two-norm initial, final = 0.49839 0.00807189 Force max component initial, final = 0.0454184 0.000543783 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.149072 (88.7107) Neigh time (%) = 0 (0) Comm time (%) = 0.0013597 (0.809138) Outpt time (%) = 0.00107622 (0.640444) Other time (%) = 0.016535 (9.83976) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2569 0 -2213.3374 -2213.3374 -3383.446 3383.446 2570 4.563273e-16 -2213.3374 -2213.3374 -3383.446 3383.446 Loop time of 0.00228095 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737403 -2213.33737403 -2213.33737403 Force two-norm initial, final = 0.00807189 0.00807189 Force max component initial, final = 0.000543783 0.000543783 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00199199 (87.3315) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.742134) Outpt time (%) = 0 (0) Other time (%) = 0.000272036 (11.9264) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2450 0 -2213.2814 -2213.2814 -3378.0814 3378.0814 2460 4.2849706e-10 -2213.2814 -2213.2814 -3378.0816 3378.0816 2470 4.6979972e-09 -2213.2814 -2213.2814 -3378.0836 3378.0836 2480 2.2933917e-08 -2213.2814 -2213.2814 -3378.0927 3378.0927 2490 1.2312209e-07 -2213.2815 -2213.2815 -3378.1426 3378.1426 2500 4.8178618e-07 -2213.2817 -2213.2817 -3378.3235 3378.3235 2510 2.2355748e-06 -2213.2828 -2213.2828 -3379.2236 3379.2236 2520 7.2915051e-06 -2213.286 -2213.286 -3382.1133 3382.1133 2530 1.6062345e-05 -2213.2928 -2213.2928 -3390.9007 3390.9007 2540 2.5541001e-05 -2213.3019 -2213.3019 -3386.6194 3386.6194 2550 5.4309478e-05 -2213.3268 -2213.3268 -3384.2167 3384.2167 2560 6.5960416e-06 -2213.336 -2213.336 -3383.4867 3383.4867 2570 5.8451597e-07 -2213.3361 -2213.3361 -3382.9074 3382.9074 2580 9.454348e-07 -2213.3364 -2213.3364 -3382.8774 3382.8774 2590 1.758576e-08 -2213.3371 -2213.3371 -3382.9591 3382.9591 2600 3.0887089e-08 -2213.3372 -2213.3372 -3383.5614 3383.5614 2610 1.3748932e-07 -2213.3373 -2213.3373 -3383.5973 3383.5973 2620 1.5450226e-08 -2213.3373 -2213.3373 -3383.4066 3383.4066 Loop time of 0.165882 on 1 procs for 170 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2814196 -2213.33731219 -2213.33731364 Force two-norm initial, final = 0.704352 0.00943311 Force max component initial, final = 0.083632 0.000626719 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 170 170 Pair time (%) = 0.149864 (90.3441) Neigh time (%) = 0 (0) Comm time (%) = 0.00135136 (0.81465) Outpt time (%) = 0.00107312 (0.646919) Other time (%) = 0.013593 (8.19436) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2620 0 -2213.3373 -2213.3373 -3383.4066 3383.4066 2621 6.232124e-16 -2213.3373 -2213.3373 -3383.4066 3383.4066 Loop time of 0.00206494 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33731364 -2213.33731364 -2213.33731364 Force two-norm initial, final = 0.00943311 0.00943311 Force max component initial, final = 0.000626719 0.000626719 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184393 (89.2968) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.727399) Outpt time (%) = 0 (0) Other time (%) = 0.000205994 (9.97575) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2500 0 -2213.3154 -2213.3154 -3385.0979 3385.0979 2510 1.9615867e-10 -2213.3154 -2213.3154 -3385.0979 3385.0979 2520 2.1507415e-09 -2213.3154 -2213.3154 -3385.0981 3385.0981 2530 1.0500983e-08 -2213.3154 -2213.3154 -3385.0987 3385.0987 2540 5.6426869e-08 -2213.3154 -2213.3154 -3385.1021 3385.1021 2550 2.2160237e-07 -2213.3155 -2213.3155 -3385.1142 3385.1142 2560 1.0464276e-06 -2213.316 -2213.316 -3385.1732 3385.1732 2570 3.6633955e-06 -2213.3176 -2213.3176 -3385.3401 3385.3401 2580 1.2157161e-05 -2213.3229 -2213.3229 -3385.4726 3385.4726 2590 1.9685075e-05 -2213.3301 -2213.3301 -3382.9265 3382.9265 2600 1.3039025e-05 -2213.3348 -2213.3348 -3384.0042 3384.0042 2610 2.0177702e-06 -2213.3358 -2213.3358 -3384.2915 3384.2915 2620 8.8251602e-07 -2213.3367 -2213.3367 -3383.3677 3383.3677 2630 1.4730136e-07 -2213.3368 -2213.3368 -3383.3521 3383.3521 2640 4.7654505e-07 -2213.3371 -2213.3371 -3383.7135 3383.7135 2650 5.7594245e-08 -2213.3373 -2213.3373 -3383.2764 3383.2764 2660 5.3637832e-09 -2213.3373 -2213.3373 -3383.4459 3383.4459 2670 4.3749325e-08 -2213.3373 -2213.3373 -3383.3685 3383.3685 2675 1.0616221e-07 -2213.3374 -2213.3374 -3383.3618 3383.3618 Loop time of 0.173266 on 1 procs for 175 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31535072 -2213.33735022 -2213.33736353 Force two-norm initial, final = 0.476562 0.00709915 Force max component initial, final = 0.0601429 0.000662738 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 175 175 Pair time (%) = 0.154589 (89.2209) Neigh time (%) = 0 (0) Comm time (%) = 0.00140905 (0.813232) Outpt time (%) = 0.00112724 (0.650585) Other time (%) = 0.0161402 (9.31529) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2675 0 -2213.3374 -2213.3374 -3383.3618 3383.3618 2676 3.5297121e-16 -2213.3374 -2213.3374 -3383.3618 3383.3618 Loop time of 0.0020659 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736353 -2213.33736353 -2213.33736353 Force two-norm initial, final = 0.00709915 0.00709915 Force max component initial, final = 0.000662738 0.000662738 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184679 (89.3941) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.830929) Outpt time (%) = 0 (0) Other time (%) = 0.000201941 (9.77496) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.2673 -2213.2673 -3394.1583 3394.1583 2560 2.3825583e-10 -2213.2673 -2213.2673 -3394.1583 3394.1583 2570 2.6122896e-09 -2213.2673 -2213.2673 -3394.1579 3394.1579 2580 1.2754058e-08 -2213.2673 -2213.2673 -3394.1563 3394.1563 2590 6.8521971e-08 -2213.2674 -2213.2674 -3394.1472 3394.1472 2600 2.689161e-07 -2213.2675 -2213.2675 -3394.114 3394.114 2610 1.2658547e-06 -2213.2681 -2213.2681 -3393.9458 3393.9458 2620 4.3819748e-06 -2213.27 -2213.27 -3393.3627 3393.3627 2630 1.4295322e-05 -2213.2763 -2213.2763 -3390.9016 3390.9016 2640 3.255791e-05 -2213.2886 -2213.2886 -3388.8149 3388.8149 2650 7.8881149e-05 -2213.3239 -2213.3239 -3385.5147 3385.5147 2660 3.6860342e-06 -2213.3364 -2213.3364 -3383.3183 3383.3183 2670 6.2154143e-07 -2213.3371 -2213.3371 -3383.0527 3383.0527 2680 4.7984814e-07 -2213.3371 -2213.3371 -3383.1279 3383.1279 2690 2.1495964e-07 -2213.3373 -2213.3373 -3383.3866 3383.3866 2700 1.9443046e-08 -2213.3373 -2213.3373 -3383.3558 3383.3558 2708 5.9521999e-08 -2213.3373 -2213.3373 -3383.3566 3383.3566 Loop time of 0.154695 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26731374 -2213.33732264 -2213.33732825 Force two-norm initial, final = 0.525215 0.00994901 Force max component initial, final = 0.0927091 0.000858681 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.13962 (90.2552) Neigh time (%) = 0 (0) Comm time (%) = 0.00126386 (0.817) Outpt time (%) = 0.00100279 (0.648237) Other time (%) = 0.0128081 (8.27958) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2708 0 -2213.3373 -2213.3373 -3383.3566 3383.3566 2709 6.9324306e-16 -2213.3373 -2213.3373 -3383.3566 3383.3566 Loop time of 0.00211215 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732825 -2213.33732825 -2213.33732825 Force two-norm initial, final = 0.00994901 0.00994901 Force max component initial, final = 0.000858681 0.000858681 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (87.5381) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.756293) Outpt time (%) = 0 (0) Other time (%) = 0.00024724 (11.7056) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.2972 -2213.2972 -3381.369 3381.369 2610 5.1425394e-10 -2213.2972 -2213.2972 -3381.3692 3381.3692 2620 5.6383213e-09 -2213.2972 -2213.2972 -3381.3704 3381.3704 2630 2.7526512e-08 -2213.2972 -2213.2972 -3381.3757 3381.3757 2640 1.4784063e-07 -2213.2972 -2213.2972 -3381.4046 3381.4046 2650 5.7950248e-07 -2213.2975 -2213.2975 -3381.5095 3381.5095 2660 2.711143e-06 -2213.2988 -2213.2988 -3382.0289 3382.0289 2670 9.1557594e-06 -2213.3028 -2213.3028 -3383.6604 3383.6604 2680 2.5024638e-05 -2213.3135 -2213.3135 -3388.0853 3388.0853 2690 2.6809689e-05 -2213.323 -2213.323 -3382.6048 3382.6048 2700 2.3345701e-05 -2213.332 -2213.332 -3384.9748 3384.9748 2710 6.3250426e-06 -2213.3318 -2213.3318 -3387.6819 3387.6819 2720 2.784296e-06 -2213.3368 -2213.3368 -3382.9491 3382.9491 2730 2.0594094e-07 -2213.3369 -2213.3369 -3384.0659 3384.0659 2740 5.105602e-07 -2213.3372 -2213.3372 -3383.1737 3383.1737 2750 8.8326039e-09 -2213.3374 -2213.3374 -3383.354 3383.354 2760 2.860921e-09 -2213.3374 -2213.3374 -3383.4541 3383.4541 2764 8.5055935e-09 -2213.3374 -2213.3374 -3383.4408 3383.4408 Loop time of 0.159871 on 1 procs for 164 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29715986 -2213.33737378 -2213.33737456 Force two-norm initial, final = 0.771622 0.00946234 Force max component initial, final = 0.100533 0.000754851 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 164 164 Pair time (%) = 0.144897 (90.6338) Neigh time (%) = 0 (0) Comm time (%) = 0.00131464 (0.822312) Outpt time (%) = 0.00106406 (0.665575) Other time (%) = 0.0125952 (7.87833) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2764 0 -2213.3374 -2213.3374 -3383.4408 3383.4408 2765 6.2707992e-16 -2213.3374 -2213.3374 -3383.4408 3383.4408 Loop time of 0.00206208 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737456 -2213.33737456 -2213.33737456 Force two-norm initial, final = 0.00946234 0.00946234 Force max component initial, final = 0.000754851 0.000754851 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184369 (89.4092) Neigh time (%) = 0 (0) Comm time (%) = 1.78814e-05 (0.867152) Outpt time (%) = 0 (0) Other time (%) = 0.00020051 (9.72367) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2500 0 -2213.2185 -2213.2185 -3391.4696 3391.4696 2510 4.2857336e-10 -2213.2185 -2213.2185 -3391.4697 3391.4697 2520 4.6990536e-09 -2213.2185 -2213.2185 -3391.47 3391.47 2530 2.2944621e-08 -2213.2185 -2213.2185 -3391.4717 3391.4717 2540 1.2332812e-07 -2213.2186 -2213.2186 -3391.4807 3391.4807 2550 4.8503587e-07 -2213.2188 -2213.2188 -3391.5134 3391.5134 2560 2.3032862e-06 -2213.2199 -2213.2199 -3391.6744 3391.6744 2570 8.2949557e-06 -2213.2235 -2213.2235 -3392.1715 3392.1715 2580 3.0304404e-05 -2213.236 -2213.236 -3393.4093 3393.4093 2590 5.6660254e-05 -2213.2594 -2213.2594 -3392.3196 3392.3196 2600 0.00011858484 -2213.3143 -2213.3143 -3385.02 3385.02 2610 2.3906348e-06 -2213.3342 -2213.3342 -3382.4116 3382.4116 2620 9.7167698e-07 -2213.3364 -2213.3364 -3383.661 3383.661 2630 8.085761e-08 -2213.3365 -2213.3365 -3383.5049 3383.5049 2640 5.1929853e-07 -2213.3368 -2213.3368 -3383.3605 3383.3605 2650 8.4325579e-07 -2213.3373 -2213.3373 -3383.4696 3383.4696 2660 1.941919e-09 -2213.3373 -2213.3373 -3383.4671 3383.4671 2670 2.2772612e-08 -2213.3373 -2213.3373 -3383.4153 3383.4153 2672 3.0082056e-08 -2213.3373 -2213.3373 -3383.4043 3383.4043 Loop time of 0.168499 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.21848611 -2213.33733891 -2213.33734165 Force two-norm initial, final = 0.704414 0.00863526 Force max component initial, final = 0.106027 0.000753688 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.152023 (90.2217) Neigh time (%) = 0 (0) Comm time (%) = 0.0013938 (0.827183) Outpt time (%) = 0.00113797 (0.675358) Other time (%) = 0.0139446 (8.27579) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2672 0 -2213.3373 -2213.3373 -3383.4043 3383.4043 2680 3.6064406e-14 -2213.3373 -2213.3373 -3383.4043 3383.4043 2690 4.5518599e-13 -2213.3373 -2213.3373 -3383.4043 3383.4043 2700 2.5288856e-12 -2213.3373 -2213.3373 -3383.4043 3383.4043 2710 1.3069874e-11 -2213.3373 -2213.3373 -3383.4044 3383.4044 2713 2.1807045e-11 -2213.3373 -2213.3373 -3383.4044 3383.4044 Loop time of 0.040802 on 1 procs for 41 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734165 -2213.33734166 -2213.33734166 Force two-norm initial, final = 0.00863526 0.00863287 Force max component initial, final = 0.000753688 0.000753405 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 41 41 Pair time (%) = 0.0368087 (90.213) Neigh time (%) = 0 (0) Comm time (%) = 0.000331163 (0.811635) Outpt time (%) = 0.000270128 (0.662047) Other time (%) = 0.00339198 (8.31327) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.2662 -2213.2662 -3391.6073 3391.6073 2560 1.0284203e-10 -2213.2662 -2213.2662 -3391.6073 3391.6073 2570 1.1276517e-09 -2213.2662 -2213.2662 -3391.6071 3391.6071 2580 5.5074161e-09 -2213.2662 -2213.2662 -3391.6065 3391.6065 2590 2.9636522e-08 -2213.2662 -2213.2662 -3391.6032 3391.6032 2600 1.1713571e-07 -2213.2663 -2213.2663 -3391.5912 3391.5912 2610 5.6853522e-07 -2213.2666 -2213.2666 -3391.5303 3391.5303 2620 2.2488065e-06 -2213.2675 -2213.2675 -3391.3222 3391.3222 2630 1.1884429e-05 -2213.2722 -2213.2722 -3390.47 3390.47 2640 2.8874753e-05 -2213.2851 -2213.2851 -3389.5562 3389.5562 2650 6.7800478e-05 -2213.3198 -2213.3198 -3385.2151 3385.2151 2660 3.6358459e-07 -2213.3367 -2213.3367 -3383.4164 3383.4164 2670 2.6448857e-07 -2213.337 -2213.337 -3383.1967 3383.1967 2680 2.94277e-08 -2213.3371 -2213.3371 -3383.2104 3383.2104 2690 1.9648479e-07 -2213.3372 -2213.3372 -3383.2081 3383.2081 2700 2.8517721e-07 -2213.3373 -2213.3373 -3383.4294 3383.4294 2708 1.839256e-10 -2213.3374 -2213.3374 -3383.4482 3383.4482 Loop time of 0.157561 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26622677 -2213.33736465 -2213.33736471 Force two-norm initial, final = 0.345064 0.00785453 Force max component initial, final = 0.0373438 0.0012523 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.142471 (90.4226) Neigh time (%) = 0 (0) Comm time (%) = 0.00131321 (0.833461) Outpt time (%) = 0.0011158 (0.708169) Other time (%) = 0.0126612 (8.03575) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2708 0 -2213.3374 -2213.3374 -3383.4482 3383.4482 2709 4.3208245e-16 -2213.3374 -2213.3374 -3383.4482 3383.4482 Loop time of 0.00212216 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736471 -2213.33736471 -2213.33736471 Force two-norm initial, final = 0.00785453 0.00785453 Force max component initial, final = 0.0012523 0.0012523 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00191212 (90.1022) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.808898) Outpt time (%) = 0 (0) Other time (%) = 0.000192881 (9.08887) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.2668 -2213.2668 -3391.8369 3391.8369 2610 1.600484e-10 -2213.2668 -2213.2668 -3391.8369 3391.8369 2620 1.7548275e-09 -2213.2668 -2213.2668 -3391.8367 3391.8367 2630 8.568358e-09 -2213.2668 -2213.2668 -3391.8358 3391.8358 2640 4.6050094e-08 -2213.2669 -2213.2669 -3391.8308 3391.8308 2650 1.8105697e-07 -2213.2669 -2213.2669 -3391.8125 3391.8125 2660 8.5842491e-07 -2213.2673 -2213.2673 -3391.7196 3391.7196 2670 3.102761e-06 -2213.2687 -2213.2687 -3391.3947 3391.3947 2680 1.2638376e-05 -2213.2736 -2213.2736 -3390.0643 3390.0643 2690 2.8225978e-05 -2213.2863 -2213.2863 -3389.5852 3389.5852 2700 6.5903316e-05 -2213.3199 -2213.3199 -3385.281 3385.281 2710 2.0881193e-06 -2213.3348 -2213.3348 -3383.1541 3383.1541 2720 3.8989623e-07 -2213.335 -2213.335 -3383.2897 3383.2897 2730 1.1099713e-06 -2213.3356 -2213.3356 -3383.4836 3383.4836 2740 2.6726627e-06 -2213.3368 -2213.3368 -3383.9755 3383.9755 2750 3.3474295e-08 -2213.3371 -2213.3371 -3383.4306 3383.4306 2760 1.8168613e-07 -2213.3372 -2213.3372 -3383.3717 3383.3717 2770 3.3614751e-08 -2213.3373 -2213.3373 -3383.247 3383.247 2772 9.6405286e-08 -2213.3374 -2213.3374 -3383.3542 3383.3542 Loop time of 0.171 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26682443 -2213.33734035 -2213.33735039 Force two-norm initial, final = 0.430468 0.00841615 Force max component initial, final = 0.0352718 0.000761054 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.153027 (89.4895) Neigh time (%) = 0 (0) Comm time (%) = 0.00139141 (0.813691) Outpt time (%) = 0.00115824 (0.677332) Other time (%) = 0.0154233 (9.01947) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2772 0 -2213.3374 -2213.3374 -3383.3542 3383.3542 2773 4.9608156e-16 -2213.3374 -2213.3374 -3383.3542 3383.3542 Loop time of 0.00214386 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735039 -2213.33735039 -2213.33735039 Force two-norm initial, final = 0.00841615 0.00841615 Force max component initial, final = 0.000761054 0.000761054 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018611 (86.8105) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.756228) Outpt time (%) = 0 (0) Other time (%) = 0.000266552 (12.4333) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.3 -2213.3 -3387.6237 3387.6237 2560 2.4508622e-10 -2213.3 -2213.3 -3387.6237 3387.6237 2570 2.6871946e-09 -2213.3 -2213.3 -3387.6238 3387.6238 2580 1.3120154e-08 -2213.3 -2213.3 -3387.6239 3387.6239 2590 7.0499101e-08 -2213.3 -2213.3 -3387.6246 3387.6246 2600 2.7684354e-07 -2213.3002 -2213.3002 -3387.6269 3387.6269 2610 1.3066377e-06 -2213.3008 -2213.3008 -3387.6365 3387.6365 2620 4.5670665e-06 -2213.3028 -2213.3028 -3387.637 3387.637 2630 1.5056089e-05 -2213.3094 -2213.3094 -3387.1577 3387.1577 2640 2.9642266e-05 -2213.321 -2213.321 -3385.3388 3385.3388 2650 2.4770566e-05 -2213.3322 -2213.3322 -3383.5394 3383.5394 2660 1.1581597e-06 -2213.3359 -2213.3359 -3382.5344 3382.5344 2670 4.0693559e-07 -2213.337 -2213.337 -3383.2838 3383.2838 2680 6.3723417e-07 -2213.3372 -2213.3372 -3383.1312 3383.1312 2690 1.1042406e-07 -2213.3373 -2213.3373 -3383.5018 3383.5018 2700 1.6760906e-08 -2213.3374 -2213.3374 -3383.366 3383.366 2710 3.3092961e-08 -2213.3374 -2213.3374 -3383.3105 3383.3105 2720 2.7895341e-09 -2213.3374 -2213.3374 -3383.4002 3383.4002 2730 8.4180711e-09 -2213.3374 -2213.3374 -3383.4256 3383.4256 2731 1.1143418e-08 -2213.3374 -2213.3374 -3383.4082 3383.4082 Loop time of 0.175805 on 1 procs for 181 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2999915 -2213.33738508 -2213.33738595 Force two-norm initial, final = 0.53269 0.00348755 Force max component initial, final = 0.0661065 0.000325025 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.159295 (90.6089) Neigh time (%) = 0 (0) Comm time (%) = 0.00144696 (0.823049) Outpt time (%) = 0.00120664 (0.686349) Other time (%) = 0.0138564 (7.88169) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2731 0 -2213.3374 -2213.3374 -3383.4082 3383.4082 2732 8.5185842e-17 -2213.3374 -2213.3374 -3383.4082 3383.4082 Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738595 -2213.33738595 -2213.33738595 Force two-norm initial, final = 0.00348755 0.00348755 Force max component initial, final = 0.000325025 0.000325025 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018611 (89.6932) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.723888) Outpt time (%) = 0 (0) Other time (%) = 0.000198841 (9.5829) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.2971 -2213.2971 -3383.0833 3383.0833 2610 2.9811376e-10 -2213.2971 -2213.2971 -3383.0833 3383.0833 2620 3.2686095e-09 -2213.2971 -2213.2971 -3383.0836 3383.0836 2630 1.5959038e-08 -2213.2971 -2213.2971 -3383.0851 3383.0851 2640 8.5757275e-08 -2213.2972 -2213.2972 -3383.0931 3383.0931 2650 3.3681981e-07 -2213.2973 -2213.2973 -3383.1222 3383.1222 2660 1.5907812e-06 -2213.2981 -2213.2981 -3383.2675 3383.2675 2670 5.5607292e-06 -2213.3005 -2213.3005 -3383.7446 3383.7446 2680 1.7121233e-05 -2213.308 -2213.308 -3385.4284 3385.4284 2690 1.6246574e-05 -2213.3143 -2213.3143 -3386.3526 3386.3526 2700 3.5091752e-05 -2213.3303 -2213.3303 -3384.0827 3384.0827 2710 1.7060613e-06 -2213.3366 -2213.3366 -3383.7391 3383.7391 2720 4.990968e-07 -2213.3373 -2213.3373 -3383.2557 3383.2557 2730 4.2269212e-08 -2213.3372 -2213.3372 -3383.6682 3383.6682 2740 4.4717645e-08 -2213.3373 -2213.3373 -3383.2541 3383.2541 2750 1.3083806e-07 -2213.3373 -2213.3373 -3383.5456 3383.5456 2760 1.4476076e-07 -2213.3374 -2213.3374 -3383.3951 3383.3951 2770 1.5816675e-08 -2213.3374 -2213.3374 -3383.3984 3383.3984 2780 4.1649897e-08 -2213.3374 -2213.3374 -3383.3709 3383.3709 2790 2.2778715e-09 -2213.3374 -2213.3374 -3383.3882 3383.3882 2792 1.3247796e-08 -2213.3374 -2213.3374 -3383.3937 3383.3937 Loop time of 0.18782 on 1 procs for 192 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29711694 -2213.33738608 -2213.33738741 Force two-norm initial, final = 0.587498 0.00198184 Force max component initial, final = 0.155853 0.000189686 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 192 192 Pair time (%) = 0.169903 (90.4607) Neigh time (%) = 0 (0) Comm time (%) = 0.00154567 (0.822952) Outpt time (%) = 0.00127006 (0.676209) Other time (%) = 0.015101 (8.04012) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2792 0 -2213.3374 -2213.3374 -3383.3937 3383.3937 2800 1.8996142e-15 -2213.3374 -2213.3374 -3383.3937 3383.3937 2810 2.3974988e-14 -2213.3374 -2213.3374 -3383.3937 3383.3937 2820 1.3316574e-13 -2213.3374 -2213.3374 -3383.3937 3383.3937 2830 6.8745955e-13 -2213.3374 -2213.3374 -3383.3937 3383.3937 2840 2.8963082e-12 -2213.3374 -2213.3374 -3383.3937 3383.3937 2850 1.2947448e-11 -2213.3374 -2213.3374 -3383.3937 3383.3937 2860 4.7616669e-11 -2213.3374 -2213.3374 -3383.3939 3383.3939 2870 1.6109455e-10 -2213.3374 -2213.3374 -3383.3942 3383.3942 2880 4.9409375e-10 -2213.3374 -2213.3374 -3383.3946 3383.3946 2890 1.4561636e-09 -2213.3374 -2213.3374 -3383.3949 3383.3949 2900 1.6019013e-12 -2213.3374 -2213.3374 -3383.395 3383.395 2910 3.3751562e-11 -2213.3374 -2213.3374 -3383.3951 3383.3951 2920 7.888829e-10 -2213.3374 -2213.3374 -3383.3953 3383.3953 2930 5.862236e-11 -2213.3374 -2213.3374 -3383.3947 3383.3947 2940 2.709888e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2941 2.5618299e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 Loop time of 0.14475 on 1 procs for 149 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738741 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00198184 4.52889e-05 Force max component initial, final = 0.000189686 3.07126e-06 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 149 149 Pair time (%) = 0.130607 (90.2297) Neigh time (%) = 0 (0) Comm time (%) = 0.00119638 (0.826518) Outpt time (%) = 0.000990152 (0.684044) Other time (%) = 0.011956 (8.25975) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.2674 -2213.2674 -3388.544 3388.544 2660 3.2480131e-10 -2213.2674 -2213.2674 -3388.544 3388.544 2670 3.561266e-09 -2213.2674 -2213.2674 -3388.5437 3388.5437 2680 1.7389043e-08 -2213.2674 -2213.2674 -3388.5427 3388.5427 2690 9.3472209e-08 -2213.2675 -2213.2675 -3388.537 3388.537 2700 3.6760421e-07 -2213.2676 -2213.2676 -3388.5163 3388.5163 2710 1.7471991e-06 -2213.2685 -2213.2685 -3388.412 3388.412 2720 6.272669e-06 -2213.2712 -2213.2712 -3388.0652 3388.0652 2730 2.3033363e-05 -2213.2814 -2213.2814 -3386.8817 3386.8817 2740 3.9991633e-05 -2213.2974 -2213.2974 -3388.5873 3388.5873 2750 6.9783388e-05 -2213.3261 -2213.3261 -3384.196 3384.196 2760 1.1589894e-06 -2213.3363 -2213.3363 -3384.4725 3384.4725 2770 4.1992304e-07 -2213.337 -2213.337 -3383.0685 3383.0685 2780 2.9345679e-08 -2213.3371 -2213.3371 -3383.5155 3383.5155 2790 1.7843383e-07 -2213.3372 -2213.3372 -3383.0415 3383.0415 2800 2.6825401e-07 -2213.3373 -2213.3373 -3383.2742 3383.2742 2810 5.2113088e-08 -2213.3374 -2213.3374 -3383.3909 3383.3909 2820 6.9536568e-09 -2213.3374 -2213.3374 -3383.4935 3383.4935 2825 1.2094121e-08 -2213.3374 -2213.3374 -3383.4439 3383.4439 Loop time of 0.169771 on 1 procs for 175 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26741921 -2213.33737938 -2213.33738067 Force two-norm initial, final = 0.613231 0.00460086 Force max component initial, final = 0.0841613 0.000494243 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 175 175 Pair time (%) = 0.154046 (90.7373) Neigh time (%) = 0 (0) Comm time (%) = 0.00141335 (0.832501) Outpt time (%) = 0.0011301 (0.665664) Other time (%) = 0.0131819 (7.76453) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2825 0 -2213.3374 -2213.3374 -3383.4439 3383.4439 2826 1.4825294e-16 -2213.3374 -2213.3374 -3383.4439 3383.4439 Loop time of 0.00209785 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738067 -2213.33738067 -2213.33738067 Force two-norm initial, final = 0.00460086 0.00460086 Force max component initial, final = 0.000494243 0.000494243 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (88.8055) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.750085) Outpt time (%) = 0 (0) Other time (%) = 0.000219107 (10.4444) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.3129 -2213.3129 -3385.0412 3385.0412 2610 2.692144e-10 -2213.3129 -2213.3129 -3385.0413 3385.0413 2620 2.9517312e-09 -2213.3129 -2213.3129 -3385.0415 3385.0415 2630 1.4411493e-08 -2213.3129 -2213.3129 -3385.0423 3385.0423 2640 7.74304e-08 -2213.3129 -2213.3129 -3385.0469 3385.0469 2650 3.0395265e-07 -2213.3131 -2213.3131 -3385.0636 3385.0636 2660 1.4318632e-06 -2213.3137 -2213.3137 -3385.1447 3385.1447 2670 4.9647246e-06 -2213.3159 -2213.3159 -3385.3784 3385.3784 2680 1.5042829e-05 -2213.3223 -2213.3223 -3385.6385 3385.6385 2690 1.2534009e-05 -2213.3272 -2213.3272 -3383.5224 3383.5224 2700 1.5591141e-05 -2213.3337 -2213.3337 -3383.6874 3383.6874 2710 2.291622e-06 -2213.3357 -2213.3357 -3381.8324 3381.8324 2720 1.2254221e-06 -2213.3373 -2213.3373 -3383.4522 3383.4522 2730 1.0561795e-07 -2213.3373 -2213.3373 -3383.1509 3383.1509 2740 1.5030211e-07 -2213.3373 -2213.3373 -3383.4583 3383.4583 2750 1.1153953e-08 -2213.3374 -2213.3374 -3383.5123 3383.5123 2754 6.3160598e-08 -2213.3374 -2213.3374 -3383.4041 3383.4041 Loop time of 0.151467 on 1 procs for 154 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31286621 -2213.33737159 -2213.33737584 Force two-norm initial, final = 0.558296 0.00775078 Force max component initial, final = 0.0508422 0.000620436 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 154 154 Pair time (%) = 0.135814 (89.666) Neigh time (%) = 0 (0) Comm time (%) = 0.00122404 (0.808123) Outpt time (%) = 0.00100541 (0.663782) Other time (%) = 0.0134232 (8.86213) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2754 0 -2213.3374 -2213.3374 -3383.4041 3383.4041 2755 4.2074303e-16 -2213.3374 -2213.3374 -3383.4041 3383.4041 Loop time of 0.00206494 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737584 -2213.33737584 -2213.33737584 Force two-norm initial, final = 0.00775078 0.00775078 Force max component initial, final = 0.000620436 0.000620436 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (89.597) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.831313) Outpt time (%) = 0 (0) Other time (%) = 0.000197649 (9.57164) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.2666 -2213.2666 -3392.0158 3392.0158 2660 1.2650108e-10 -2213.2666 -2213.2666 -3392.0158 3392.0158 2670 1.3870157e-09 -2213.2666 -2213.2666 -3392.0156 3392.0156 2680 6.7726226e-09 -2213.2666 -2213.2666 -3392.0147 3392.0147 2690 3.640659e-08 -2213.2667 -2213.2667 -3392.0098 3392.0098 2700 1.4321195e-07 -2213.2667 -2213.2667 -3391.992 3391.992 2710 6.813986e-07 -2213.2671 -2213.2671 -3391.9022 3391.9022 2720 2.4704788e-06 -2213.2681 -2213.2681 -3391.5972 3391.5972 2730 1.0118109e-05 -2213.2726 -2213.2726 -3390.4097 3390.4097 2740 3.1226681e-05 -2213.2853 -2213.2853 -3389.6116 3389.6116 2750 8.9822928e-05 -2213.3233 -2213.3233 -3385.143 3385.143 2760 2.2753349e-06 -2213.3365 -2213.3365 -3383.7891 3383.7891 2770 4.0992164e-07 -2213.3369 -2213.3369 -3383.1569 3383.1569 2780 4.7710714e-07 -2213.3371 -2213.3371 -3383.0174 3383.0174 2790 2.024359e-07 -2213.3373 -2213.3373 -3383.3684 3383.3684 2800 2.1576772e-08 -2213.3373 -2213.3373 -3383.3362 3383.3362 2810 8.641208e-08 -2213.3373 -2213.3373 -3383.3263 3383.3263 2813 1.2304127e-07 -2213.3373 -2213.3373 -3383.3889 3383.3889 Loop time of 0.158759 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26663661 -2213.33734047 -2213.33734905 Force two-norm initial, final = 0.382703 0.0090853 Force max component initial, final = 0.0337521 0.000942166 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.144277 (90.8777) Neigh time (%) = 0 (0) Comm time (%) = 0.00130892 (0.824468) Outpt time (%) = 0.00107861 (0.679398) Other time (%) = 0.012095 (7.61844) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2813 0 -2213.3373 -2213.3373 -3383.3889 3383.3889 2814 5.7810259e-16 -2213.3373 -2213.3373 -3383.3889 3383.3889 Loop time of 0.00206304 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734905 -2213.33734905 -2213.33734905 Force two-norm initial, final = 0.0090853 0.0090853 Force max component initial, final = 0.000942166 0.000942166 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184989 (89.6683) Neigh time (%) = 0 (0) Comm time (%) = 1.7643e-05 (0.855195) Outpt time (%) = 0 (0) Other time (%) = 0.000195503 (9.47648) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.3094 -2213.3094 -3387.1912 3387.1912 2710 9.3325203e-11 -2213.3094 -2213.3094 -3387.1912 3387.1912 2720 1.0232755e-09 -2213.3094 -2213.3094 -3387.191 3387.191 2730 4.996903e-09 -2213.3094 -2213.3094 -3387.1902 3387.1902 2740 2.687132e-08 -2213.3094 -2213.3094 -3387.1859 3387.1859 2750 1.0586752e-07 -2213.3095 -2213.3095 -3387.1702 3387.1702 2760 5.0715399e-07 -2213.3097 -2213.3097 -3387.0912 3387.0912 2770 1.8805027e-06 -2213.3105 -2213.3105 -3386.8239 3386.8239 2780 7.8182922e-06 -2213.3139 -2213.3139 -3385.7543 3385.7543 2790 1.7565972e-05 -2213.321 -2213.321 -3384.6794 3384.6794 2800 2.935201e-05 -2213.3329 -2213.3329 -3384.6777 3384.6777 2810 3.4263186e-07 -2213.3365 -2213.3365 -3384.4504 3384.4504 2820 2.2446085e-07 -2213.337 -2213.337 -3383.3297 3383.3297 2830 4.2871522e-07 -2213.3372 -2213.3372 -3383.3485 3383.3485 2840 3.6601039e-08 -2213.3373 -2213.3373 -3383.4901 3383.4901 2850 7.0343104e-08 -2213.3373 -2213.3373 -3383.5976 3383.5976 2858 2.2853801e-08 -2213.3374 -2213.3374 -3383.3426 3383.3426 Loop time of 0.154406 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30940628 -2213.3373529 -2213.33735618 Force two-norm initial, final = 0.328711 0.00963518 Force max component initial, final = 0.0555882 0.000891589 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.139786 (90.5314) Neigh time (%) = 0 (0) Comm time (%) = 0.00124264 (0.804785) Outpt time (%) = 0.00100088 (0.648214) Other time (%) = 0.0123765 (8.01558) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2858 0 -2213.3374 -2213.3374 -3383.3426 3383.3426 2859 6.5019894e-16 -2213.3374 -2213.3374 -3383.3426 3383.3426 Loop time of 0.002074 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735618 -2213.33735618 -2213.33735618 Force two-norm initial, final = 0.00963518 0.00963518 Force max component initial, final = 0.000891589 0.000891589 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184417 (88.9183) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.827681) Outpt time (%) = 0 (0) Other time (%) = 0.000212669 (10.2541) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.2839 -2213.2839 -3387.3383 3387.3383 2660 1.3325242e-10 -2213.2839 -2213.2839 -3387.3383 3387.3383 2670 1.4610032e-09 -2213.2839 -2213.2839 -3387.3385 3387.3385 2680 7.1329858e-09 -2213.2839 -2213.2839 -3387.3391 3387.3391 2690 3.8318827e-08 -2213.2839 -2213.2839 -3387.3423 3387.3423 2700 1.503387e-07 -2213.284 -2213.284 -3387.3539 3387.3539 2710 7.0666506e-07 -2213.2843 -2213.2843 -3387.4106 3387.4106 2720 2.4474164e-06 -2213.2854 -2213.2854 -3387.5793 3387.5793 2730 8.8263583e-06 -2213.2891 -2213.2891 -3387.9339 3387.9339 2740 2.7054094e-05 -2213.2995 -2213.2995 -3387.132 3387.132 2750 5.4344384e-05 -2213.3258 -2213.3258 -3384.3896 3384.3896 2760 9.4000654e-07 -2213.3369 -2213.3369 -3383.5172 3383.5172 2770 1.8139933e-07 -2213.3371 -2213.3371 -3383.5291 3383.5291 2780 2.7823199e-07 -2213.3372 -2213.3372 -3383.4824 3383.4824 2790 1.2930188e-07 -2213.3373 -2213.3373 -3383.4283 3383.4283 2800 1.1590467e-08 -2213.3373 -2213.3373 -3383.4274 3383.4274 2810 4.1499875e-08 -2213.3374 -2213.3374 -3383.4123 3383.4123 2820 8.6050581e-09 -2213.3374 -2213.3374 -3383.4041 3383.4041 2823 2.8909877e-08 -2213.3374 -2213.3374 -3383.3901 3383.3901 Loop time of 0.167672 on 1 procs for 173 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28389711 -2213.33738144 -2213.33738187 Force two-norm initial, final = 0.392783 0.00598893 Force max component initial, final = 0.0302606 0.000441225 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 173 173 Pair time (%) = 0.152295 (90.829) Neigh time (%) = 0 (0) Comm time (%) = 0.00137496 (0.820029) Outpt time (%) = 0.00113297 (0.675703) Other time (%) = 0.0128694 (7.67531) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2823 0 -2213.3374 -2213.3374 -3383.3902 3383.3902 2824 2.5120287e-16 -2213.3374 -2213.3374 -3383.3902 3383.3902 Loop time of 0.00207305 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738187 -2213.33738187 -2213.33738187 Force two-norm initial, final = 0.00598893 0.00598893 Force max component initial, final = 0.000441225 0.000441225 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (89.1892) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.80506) Outpt time (%) = 0 (0) Other time (%) = 0.000207424 (10.0058) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.2586 -2213.2586 -3391.4328 3391.4328 2710 9.5061011e-10 -2213.2586 -2213.2586 -3391.4328 3391.4328 2720 1.0422314e-08 -2213.2586 -2213.2586 -3391.4325 3391.4325 2730 5.0876516e-08 -2213.2586 -2213.2586 -3391.431 3391.431 2740 2.7308652e-07 -2213.2588 -2213.2588 -3391.4227 3391.4227 2750 1.0680209e-06 -2213.2592 -2213.2592 -3391.3922 3391.3922 2760 4.9400481e-06 -2213.2616 -2213.2616 -3391.2262 3391.2262 2770 1.5962594e-05 -2213.2684 -2213.2684 -3390.526 3390.526 2780 3.2560881e-05 -2213.2815 -2213.2815 -3386.595 3386.595 2790 4.0610718e-05 -2213.2964 -2213.2964 -3389.8366 3389.8366 2800 5.6527969e-05 -2213.3224 -2213.3224 -3382.6159 3382.6159 2810 1.1801052e-07 -2213.3293 -2213.3293 -3382.141 3382.141 2820 1.983121e-06 -2213.3305 -2213.3305 -3384.3946 3384.3946 2830 5.2419811e-06 -2213.3332 -2213.3332 -3383.167 3383.167 2840 1.3391532e-06 -2213.3363 -2213.3363 -3383.3399 3383.3399 2850 2.9509319e-07 -2213.3364 -2213.3364 -3383.3132 3383.3132 2860 1.0713274e-06 -2213.3369 -2213.3369 -3383.8121 3383.8121 2870 1.2913551e-07 -2213.337 -2213.337 -3383.605 3383.605 2880 2.5920638e-07 -2213.3373 -2213.3373 -3383.5375 3383.5375 2890 2.2027453e-08 -2213.3373 -2213.3373 -3383.4382 3383.4382 2895 5.8449425e-08 -2213.3373 -2213.3373 -3383.3994 3383.3994 Loop time of 0.189467 on 1 procs for 195 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25858867 -2213.337299 -2213.33730558 Force two-norm initial, final = 1.0491 0.00997267 Force max component initial, final = 0.121913 0.000641319 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 195 195 Pair time (%) = 0.172755 (91.1797) Neigh time (%) = 0 (0) Comm time (%) = 0.00154233 (0.814036) Outpt time (%) = 0.00126362 (0.666933) Other time (%) = 0.0139055 (7.33929) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2895 0 -2213.3373 -2213.3373 -3383.3994 3383.3994 2896 6.9654552e-16 -2213.3373 -2213.3373 -3383.3994 3383.3994 Loop time of 0.00206304 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33730558 -2213.33730558 -2213.33730558 Force two-norm initial, final = 0.00997267 0.00997267 Force max component initial, final = 0.000641319 0.000641319 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (89.6337) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.878308) Outpt time (%) = 0 (0) Other time (%) = 0.000195742 (9.48804) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.2899 -2213.2899 -3391.4875 3391.4875 2760 1.548515e-10 -2213.2899 -2213.2899 -3391.4875 3391.4875 2770 1.6978675e-09 -2213.2899 -2213.2899 -3391.4872 3391.4872 2780 8.2906036e-09 -2213.2899 -2213.2899 -3391.4859 3391.4859 2790 4.4569879e-08 -2213.2899 -2213.2899 -3391.4785 3391.4785 2800 1.7538151e-07 -2213.29 -2213.29 -3391.4519 3391.4519 2810 8.3554157e-07 -2213.2904 -2213.2904 -3391.3174 3391.3174 2820 3.0429225e-06 -2213.2917 -2213.2917 -3390.8638 3390.8638 2830 1.2483487e-05 -2213.297 -2213.297 -3389.1303 3389.1303 2840 3.4195467e-05 -2213.31 -2213.31 -3388.5166 3388.5166 2850 4.819787e-05 -2213.3313 -2213.3313 -3383.8253 3383.8253 2860 1.7448916e-06 -2213.3348 -2213.3348 -3382.6208 3382.6208 2870 2.0026503e-07 -2213.3362 -2213.3362 -3382.722 3382.722 2880 9.494359e-07 -2213.3368 -2213.3368 -3383.0212 3383.0212 2890 2.3712436e-07 -2213.3372 -2213.3372 -3383.3224 3383.3224 2900 4.1354604e-08 -2213.3372 -2213.3372 -3383.3319 3383.3319 2910 1.9074533e-07 -2213.3373 -2213.3373 -3383.3757 3383.3757 2916 2.0419819e-08 -2213.3373 -2213.3373 -3383.4025 3383.4025 Loop time of 0.165023 on 1 procs for 166 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28989121 -2213.33731511 -2213.3373168 Force two-norm initial, final = 0.423421 0.00980518 Force max component initial, final = 0.0519817 0.000855214 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.146823 (88.9714) Neigh time (%) = 0 (0) Comm time (%) = 0.00132251 (0.801408) Outpt time (%) = 0.00108624 (0.658232) Other time (%) = 0.0157909 (9.56893) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2916 0 -2213.3373 -2213.3373 -3383.4025 3383.4025 2917 6.7334467e-16 -2213.3373 -2213.3373 -3383.4025 3383.4025 Loop time of 0.00213313 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373168 -2213.3373168 -2213.3373168 Force two-norm initial, final = 0.00980518 0.00980518 Force max component initial, final = 0.000855214 0.000855214 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185895 (87.1465) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.782385) Outpt time (%) = 0 (0) Other time (%) = 0.000257492 (12.0711) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.3146 -2213.3146 -3373.9619 3373.9619 2710 2.5457349e-10 -2213.3146 -2213.3146 -3373.9621 3373.9621 2720 2.7911356e-09 -2213.3146 -2213.3146 -3373.9642 3373.9642 2730 1.3625821e-08 -2213.3146 -2213.3146 -3373.9734 3373.9734 2740 7.3163787e-08 -2213.3147 -2213.3147 -3374.0237 3374.0237 2750 2.8652294e-07 -2213.3148 -2213.3148 -3374.2065 3374.2065 2760 1.3339075e-06 -2213.3154 -2213.3154 -3375.1186 3375.1186 2770 4.4126407e-06 -2213.3173 -2213.3173 -3378.079 3378.079 2780 9.6683445e-06 -2213.3214 -2213.3214 -3387.3904 3387.3904 2790 1.0218743e-05 -2213.3251 -2213.3251 -3383.3405 3383.3405 2800 1.7494008e-05 -2213.3326 -2213.3326 -3384.8353 3384.8353 2810 1.9593133e-06 -2213.3358 -2213.3358 -3382.6895 3382.6895 2820 2.1480141e-07 -2213.3373 -2213.3373 -3383.4412 3383.4412 2830 2.3682117e-07 -2213.3374 -2213.3374 -3383.2715 3383.2715 2840 9.3286593e-08 -2213.3374 -2213.3374 -3383.49 3383.49 2850 7.7693952e-08 -2213.3374 -2213.3374 -3383.5096 3383.5096 2860 3.1379467e-10 -2213.3374 -2213.3374 -3383.3855 3383.3855 2863 1.1217323e-09 -2213.3374 -2213.3374 -3383.3875 3383.3875 Loop time of 0.161436 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31461814 -2213.33738572 -2213.3373859 Force two-norm initial, final = 0.542903 0.00594547 Force max component initial, final = 0.0689803 0.00079796 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.144036 (89.222) Neigh time (%) = 0 (0) Comm time (%) = 0.0012815 (0.793814) Outpt time (%) = 0.00108004 (0.669019) Other time (%) = 0.015038 (9.31516) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2863 0 -2213.3374 -2213.3374 -3383.3875 3383.3875 2870 1.2480016e-14 -2213.3374 -2213.3374 -3383.3875 3383.3875 2880 1.7233504e-13 -2213.3374 -2213.3374 -3383.3875 3383.3875 2890 1.0307103e-12 -2213.3374 -2213.3374 -3383.3875 3383.3875 2900 5.2045981e-12 -2213.3374 -2213.3374 -3383.3875 3383.3875 2910 2.2802591e-11 -2213.3374 -2213.3374 -3383.3876 3383.3876 2920 9.904873e-11 -2213.3374 -2213.3374 -3383.3878 3383.3878 2930 3.7584777e-10 -2213.3374 -2213.3374 -3383.3888 3383.3888 2940 1.1354956e-09 -2213.3374 -2213.3374 -3383.3925 3383.3925 2950 1.7110734e-09 -2213.3374 -2213.3374 -3383.4 3383.4 2960 1.7370053e-09 -2213.3374 -2213.3374 -3383.3893 3383.3893 2970 6.05698e-12 -2213.3374 -2213.3374 -3383.3799 3383.3799 2980 1.6360827e-10 -2213.3374 -2213.3374 -3383.3957 3383.3957 2990 8.4076698e-10 -2213.3374 -2213.3374 -3383.3202 3383.3202 3000 1.1215039e-11 -2213.3374 -2213.3374 -3383.3965 3383.3965 Loop time of 0.137422 on 1 procs for 137 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373859 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00594547 0.000245054 Force max component initial, final = 0.00079796 3.3225e-05 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 137 137 Pair time (%) = 0.121582 (88.4732) Neigh time (%) = 0 (0) Comm time (%) = 0.00112224 (0.816636) Outpt time (%) = 0.000879049 (0.639672) Other time (%) = 0.013839 (10.0705) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.2503 -2213.2503 -3383.6805 3383.6805 2760 6.3933998e-10 -2213.2503 -2213.2503 -3383.6806 3383.6806 2770 7.0097899e-09 -2213.2503 -2213.2503 -3383.6818 3383.6818 2780 3.4222611e-08 -2213.2503 -2213.2503 -3383.6871 3383.6871 2790 1.8381596e-07 -2213.2504 -2213.2504 -3383.716 3383.716 2800 7.2076664e-07 -2213.2507 -2213.2507 -3383.8207 3383.8207 2810 3.3762721e-06 -2213.2523 -2213.2523 -3384.339 3384.339 2820 1.1482521e-05 -2213.2573 -2213.2573 -3385.9673 3385.9673 2830 3.2222345e-05 -2213.2709 -2213.2709 -3390.5062 3390.5062 2840 4.8729415e-05 -2213.2896 -2213.2896 -3388.1129 3388.1129 2850 7.6420076e-05 -2213.3227 -2213.3227 -3386.0618 3386.0618 2860 5.4016962e-06 -2213.3351 -2213.3351 -3383.4933 3383.4933 2870 7.117383e-07 -2213.3356 -2213.3356 -3383.3242 3383.3242 2880 1.4412704e-06 -2213.3363 -2213.3363 -3383.5112 3383.5112 2890 2.2432109e-06 -2213.337 -2213.337 -3382.8985 3382.8985 2900 1.7525078e-08 -2213.3372 -2213.3372 -3383.3911 3383.3911 2910 9.9277993e-08 -2213.3373 -2213.3373 -3383.4452 3383.4452 2919 1.1670833e-08 -2213.3373 -2213.3373 -3383.4027 3383.4027 Loop time of 0.167042 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2502563 -2213.33733666 -2213.33733823 Force two-norm initial, final = 0.860363 0.00942471 Force max component initial, final = 0.121147 0.00072731 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.149282 (89.3676) Neigh time (%) = 0 (0) Comm time (%) = 0.00136971 (0.819982) Outpt time (%) = 0.00107121 (0.641285) Other time (%) = 0.0153196 (9.1711) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2919 0 -2213.3373 -2213.3373 -3383.4027 3383.4027 2920 6.2210286e-16 -2213.3373 -2213.3373 -3383.4027 3383.4027 Loop time of 0.00224614 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733823 -2213.33733823 -2213.33733823 Force two-norm initial, final = 0.00942471 0.00942471 Force max component initial, final = 0.00072731 0.00072731 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00197983 (88.1435) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.753635) Outpt time (%) = 0 (0) Other time (%) = 0.000249386 (11.1029) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.3077 -2213.3077 -3386.6934 3386.6934 2810 9.403944e-11 -2213.3077 -2213.3077 -3386.6934 3386.6934 2820 1.031099e-09 -2213.3077 -2213.3077 -3386.6934 3386.6934 2830 5.0349323e-09 -2213.3077 -2213.3077 -3386.6936 3386.6936 2840 2.7070734e-08 -2213.3077 -2213.3077 -3386.6948 3386.6948 2850 1.0657841e-07 -2213.3077 -2213.3077 -3386.6989 3386.6989 2860 5.0879429e-07 -2213.308 -2213.308 -3386.7193 3386.7193 2870 1.8632709e-06 -2213.3088 -2213.3088 -3386.7812 3386.7812 2880 7.309896e-06 -2213.312 -2213.312 -3386.9237 3386.9237 2890 1.7557923e-05 -2213.3194 -2213.3194 -3386.5585 3386.5585 2900 3.1325878e-05 -2213.3329 -2213.3329 -3383.871 3383.871 2910 5.0193981e-07 -2213.3363 -2213.3363 -3382.5806 3382.5806 2920 4.0602792e-08 -2213.337 -2213.337 -3383.2678 3383.2678 2930 1.9352651e-08 -2213.3371 -2213.3371 -3383.0827 3383.0827 2940 1.9894753e-07 -2213.3372 -2213.3372 -3383.1314 3383.1314 2950 3.0326746e-07 -2213.3374 -2213.3374 -3383.4321 3383.4321 2955 2.1354897e-09 -2213.3374 -2213.3374 -3383.4361 3383.4361 Loop time of 0.15109 on 1 procs for 155 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30766026 -2213.3373787 -2213.3373791 Force two-norm initial, final = 0.329967 0.00469731 Force max component initial, final = 0.0636933 0.000376642 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 155 155 Pair time (%) = 0.136514 (90.3526) Neigh time (%) = 0 (0) Comm time (%) = 0.00124884 (0.826552) Outpt time (%) = 0.000988007 (0.65392) Other time (%) = 0.0123394 (8.16689) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2955 0 -2213.3374 -2213.3374 -3383.4361 3383.4361 2956 1.5453424e-16 -2213.3374 -2213.3374 -3383.4361 3383.4361 Loop time of 0.00210309 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373791 -2213.3373791 -2213.3373791 Force two-norm initial, final = 0.00469731 0.00469731 Force max component initial, final = 0.000376642 0.000376642 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185513 (88.21) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.816234) Outpt time (%) = 0 (0) Other time (%) = 0.000230789 (10.9738) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.3254 -2213.3254 -3384.6162 3384.6162 2760 1.7695438e-10 -2213.3254 -2213.3254 -3384.6162 3384.6162 2770 1.9401878e-09 -2213.3254 -2213.3254 -3384.6161 3384.6161 2780 9.4732885e-09 -2213.3255 -2213.3255 -3384.6161 3384.6161 2790 5.0910998e-08 -2213.3255 -2213.3255 -3384.6158 3384.6158 2800 2.0009783e-07 -2213.3256 -2213.3256 -3384.6148 3384.6148 2810 9.471496e-07 -2213.326 -2213.326 -3384.6083 3384.6083 2820 3.3625196e-06 -2213.3275 -2213.3275 -3384.5724 3384.5724 2830 1.0949308e-05 -2213.3317 -2213.3317 -3384.1972 3384.1972 2840 5.3177821e-06 -2213.3337 -2213.3337 -3383.7235 3383.7235 2850 5.0810605e-06 -2213.3358 -2213.3358 -3383.2819 3383.2819 2860 1.3337106e-06 -2213.3369 -2213.3369 -3383.2531 3383.2531 2870 1.3751651e-07 -2213.3371 -2213.3371 -3383.2684 3383.2684 2880 1.9875247e-07 -2213.3372 -2213.3372 -3383.4003 3383.4003 2890 2.9091841e-07 -2213.3373 -2213.3373 -3383.651 3383.651 2900 7.8671389e-09 -2213.3374 -2213.3374 -3383.4191 3383.4191 2910 2.9677589e-08 -2213.3374 -2213.3374 -3383.3969 3383.3969 2919 3.0965781e-09 -2213.3374 -2213.3374 -3383.3977 3383.3977 Loop time of 0.163813 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32544812 -2213.33737982 -2213.33738024 Force two-norm initial, final = 0.452633 0.00468183 Force max component initial, final = 0.0407944 0.000388237 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.148484 (90.6427) Neigh time (%) = 0 (0) Comm time (%) = 0.00135374 (0.826395) Outpt time (%) = 0.00105047 (0.641264) Other time (%) = 0.0129242 (7.88961) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2919 0 -2213.3374 -2213.3374 -3383.3977 3383.3977 2920 1.5351744e-16 -2213.3374 -2213.3374 -3383.3977 3383.3977 Loop time of 0.00219703 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738024 -2213.33738024 -2213.33738024 Force two-norm initial, final = 0.00468183 0.00468183 Force max component initial, final = 0.000388237 0.000388237 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198483 (90.3418) Neigh time (%) = 0 (0) Comm time (%) = 1.45435e-05 (0.661964) Outpt time (%) = 0 (0) Other time (%) = 0.000197649 (8.9962) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.2914 -2213.2914 -3383.0687 3383.0687 2810 2.156113e-10 -2213.2914 -2213.2914 -3383.0687 3383.0687 2820 2.3640096e-09 -2213.2914 -2213.2914 -3383.0695 3383.0695 2830 1.1542043e-08 -2213.2914 -2213.2914 -3383.0727 3383.0727 2840 6.2011692e-08 -2213.2915 -2213.2915 -3383.0906 3383.0906 2850 2.4345714e-07 -2213.2916 -2213.2916 -3383.1553 3383.1553 2860 1.1466465e-06 -2213.2921 -2213.2921 -3383.4779 3383.4779 2870 4.0039609e-06 -2213.2938 -2213.2938 -3384.5224 3384.5224 2880 1.3131612e-05 -2213.299 -2213.299 -3387.8392 3387.8392 2890 2.1890946e-05 -2213.3079 -2213.3079 -3386.9569 3386.9569 2900 4.0186948e-05 -2213.3276 -2213.3276 -3384.5429 3384.5429 2910 2.6276004e-06 -2213.3358 -2213.3358 -3383.0698 3383.0698 2920 2.5562189e-07 -2213.336 -2213.336 -3383.0778 3383.0778 2930 7.242873e-07 -2213.3364 -2213.3364 -3383.2941 3383.2941 2940 1.5040753e-06 -2213.3371 -2213.3371 -3382.6649 3382.6649 2950 1.6412566e-08 -2213.3372 -2213.3372 -3383.451 3383.451 2960 1.022563e-07 -2213.3373 -2213.3373 -3383.5629 3383.5629 2969 1.3451e-08 -2213.3373 -2213.3373 -3383.4045 3383.4045 Loop time of 0.167518 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29141735 -2213.33733361 -2213.33733525 Force two-norm initial, final = 0.499633 0.00892127 Force max component initial, final = 0.0972565 0.00067889 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.149909 (89.4885) Neigh time (%) = 0 (0) Comm time (%) = 0.00136042 (0.812101) Outpt time (%) = 0.00106168 (0.633769) Other time (%) = 0.0151865 (9.06561) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2969 0 -2213.3373 -2213.3373 -3383.4045 3383.4045 2970 5.5741578e-16 -2213.3373 -2213.3373 -3383.4045 3383.4045 Loop time of 0.00227714 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733525 -2213.33733525 -2213.33733525 Force two-norm initial, final = 0.00892127 0.00892127 Force max component initial, final = 0.00067889 0.00067889 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00199175 (87.4673) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.659617) Outpt time (%) = 0 (0) Other time (%) = 0.000270367 (11.8731) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.3032 -2213.3032 -3384.7419 3384.7419 2860 3.8134359e-10 -2213.3032 -2213.3032 -3384.7419 3384.7419 2870 4.1809854e-09 -2213.3033 -2213.3033 -3384.7421 3384.7421 2880 2.040963e-08 -2213.3033 -2213.3033 -3384.7428 3384.7428 2890 1.0955482e-07 -2213.3033 -2213.3033 -3384.7468 3384.7468 2900 4.2853406e-07 -2213.3035 -2213.3035 -3384.7612 3384.7612 2910 1.9835133e-06 -2213.3045 -2213.3045 -3384.8278 3384.8278 2920 6.4423013e-06 -2213.3072 -2213.3072 -3384.9833 3384.9833 2930 1.3879655e-05 -2213.3126 -2213.3126 -3384.7858 3384.7858 2940 1.7836518e-05 -2213.3197 -2213.3197 -3385.1351 3385.1351 2950 2.3469605e-05 -2213.331 -2213.331 -3382.8648 3382.8648 2960 2.4477267e-06 -2213.3353 -2213.3353 -3384.0894 3384.0894 2970 6.7879134e-07 -2213.3357 -2213.3357 -3383.6386 3383.6386 2980 1.3520132e-06 -2213.3364 -2213.3364 -3383.5703 3383.5703 2990 2.0246054e-07 -2213.3369 -2213.3369 -3383.8862 3383.8862 3000 5.9682768e-08 -2213.337 -2213.337 -3383.3185 3383.3185 3010 2.2767653e-07 -2213.3371 -2213.3371 -3383.3836 3383.3836 3020 4.3647065e-07 -2213.3373 -2213.3373 -3383.2774 3383.2774 3030 1.0555807e-08 -2213.3373 -2213.3373 -3383.4254 3383.4254 3033 1.794923e-08 -2213.3373 -2213.3373 -3383.4045 3383.4045 Loop time of 0.183207 on 1 procs for 183 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30324955 -2213.33733688 -2213.3373379 Force two-norm initial, final = 0.664468 0.00838472 Force max component initial, final = 0.0842257 0.000647751 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 183 183 Pair time (%) = 0.161125 (87.9468) Neigh time (%) = 0 (0) Comm time (%) = 0.00143862 (0.785242) Outpt time (%) = 0.00119019 (0.64964) Other time (%) = 0.0194535 (10.6183) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3033 0 -2213.3373 -2213.3373 -3383.4045 3383.4045 3034 4.9238329e-16 -2213.3373 -2213.3373 -3383.4045 3383.4045 Loop time of 0.00223398 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373379 -2213.3373379 -2213.3373379 Force two-norm initial, final = 0.00838472 0.00838472 Force max component initial, final = 0.000647751 0.000647751 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184703 (82.6788) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.715048) Outpt time (%) = 0 (0) Other time (%) = 0.000370979 (16.6062) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.2992 -2213.2992 -3398.9572 3398.9572 2810 1.62796e-10 -2213.2992 -2213.2992 -3398.9571 3398.9571 2820 1.7849008e-09 -2213.2993 -2213.2993 -3398.9555 3398.9555 2830 8.7137701e-09 -2213.2993 -2213.2993 -3398.9483 3398.9483 2840 4.6795227e-08 -2213.2993 -2213.2993 -3398.9094 3398.9094 2850 1.8334674e-07 -2213.2994 -2213.2994 -3398.7676 3398.7676 2860 8.5615245e-07 -2213.2998 -2213.2998 -3398.0532 3398.0532 2870 2.8781179e-06 -2213.301 -2213.301 -3395.6426 3395.6426 2880 8.4930817e-06 -2213.3045 -2213.3045 -3386.4579 3386.4579 2890 1.9477078e-05 -2213.312 -2213.312 -3386.1368 3386.1368 2900 3.5892277e-05 -2213.3295 -2213.3295 -3380.6322 3380.6322 2910 2.024221e-06 -2213.3359 -2213.3359 -3375.6113 3375.6113 2920 1.1027014e-06 -2213.3372 -2213.3372 -3384.0386 3384.0386 2930 3.4255151e-08 -2213.3372 -2213.3372 -3383.2778 3383.2778 2940 1.479196e-07 -2213.3373 -2213.3373 -3383.3567 3383.3567 2950 1.9916225e-07 -2213.3374 -2213.3374 -3383.2902 3383.2902 2960 3.2596572e-09 -2213.3374 -2213.3374 -3383.4481 3383.4481 2962 8.5629609e-09 -2213.3374 -2213.3374 -3383.4025 3383.4025 Loop time of 0.160011 on 1 procs for 162 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29924988 -2213.3373856 -2213.33738681 Force two-norm initial, final = 0.434148 0.00499658 Force max component initial, final = 0.0470123 0.000634405 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 162 162 Pair time (%) = 0.142797 (89.2421) Neigh time (%) = 0 (0) Comm time (%) = 0.00128984 (0.806097) Outpt time (%) = 0.00106597 (0.666185) Other time (%) = 0.014858 (9.28561) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2962 0 -2213.3374 -2213.3374 -3383.4025 3383.4025 2963 1.7485244e-16 -2213.3374 -2213.3374 -3383.4025 3383.4025 Loop time of 0.00215006 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738681 -2213.33738681 -2213.33738681 Force two-norm initial, final = 0.00499658 0.00499658 Force max component initial, final = 0.000634405 0.000634405 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184798 (85.9503) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.698603) Outpt time (%) = 0 (0) Other time (%) = 0.000287056 (13.3511) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.2975 -2213.2975 -3388.0032 3388.0032 2860 6.0158387e-11 -2213.2975 -2213.2975 -3388.0032 3388.0032 2870 6.5962154e-10 -2213.2975 -2213.2975 -3388.0032 3388.0032 2880 3.221291e-09 -2213.2975 -2213.2975 -3388.0032 3388.0032 2890 1.7328017e-08 -2213.2975 -2213.2975 -3388.0029 3388.0029 2900 6.8357546e-08 -2213.2976 -2213.2976 -3388.0022 3388.0022 2910 3.2938108e-07 -2213.2977 -2213.2977 -3387.9978 3387.9978 2920 1.2543303e-06 -2213.2983 -2213.2983 -3387.9785 3387.9785 2930 6.1176073e-06 -2213.3008 -2213.3008 -3387.8095 3387.8095 2940 2.036101e-05 -2213.3086 -2213.3086 -3386.8052 3386.8052 2950 4.459042e-05 -2213.3292 -2213.3292 -3384.4988 3384.4988 2960 1.4776271e-07 -2213.3371 -2213.3371 -3383.3989 3383.3989 2970 6.300268e-08 -2213.3372 -2213.3372 -3383.0808 3383.0808 2980 1.1737782e-07 -2213.3373 -2213.3373 -3383.3264 3383.3264 2990 1.4209345e-08 -2213.3373 -2213.3373 -3383.4507 3383.4507 2992 2.8626714e-08 -2213.3374 -2213.3374 -3383.3637 3383.3637 Loop time of 0.141095 on 1 procs for 142 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29751659 -2213.33734781 -2213.33735012 Force two-norm initial, final = 0.263914 0.0095007 Force max component initial, final = 0.028895 0.0018893 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 142 142 Pair time (%) = 0.125732 (89.1116) Neigh time (%) = 0 (0) Comm time (%) = 0.00114226 (0.80957) Outpt time (%) = 0.000941277 (0.667122) Other time (%) = 0.0132794 (9.41169) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2992 0 -2213.3374 -2213.3374 -3383.3637 3383.3637 2993 6.3217506e-16 -2213.3374 -2213.3374 -3383.3637 3383.3637 Loop time of 0.00215197 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735012 -2213.33735012 -2213.33735012 Force two-norm initial, final = 0.0095007 0.0095007 Force max component initial, final = 0.0018893 0.0018893 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185061 (85.996) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.775537) Outpt time (%) = 0 (0) Other time (%) = 0.000284672 (13.2285) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2900 0 -2213.2605 -2213.2605 -3387.5326 3387.5326 2910 2.5786487e-10 -2213.2605 -2213.2605 -3387.5327 3387.5327 2920 2.8273782e-09 -2213.2605 -2213.2605 -3387.5331 3387.5331 2930 1.380642e-08 -2213.2605 -2213.2605 -3387.5348 3387.5348 2940 7.4236593e-08 -2213.2606 -2213.2606 -3387.5441 3387.5441 2950 2.9231768e-07 -2213.2607 -2213.2607 -3387.578 3387.578 2960 1.3972806e-06 -2213.2614 -2213.2614 -3387.7467 3387.7467 2970 5.1355943e-06 -2213.2636 -2213.2636 -3388.2863 3388.2863 2980 2.1163083e-05 -2213.2728 -2213.2728 -3389.9205 3389.9205 2990 4.9315649e-05 -2213.291 -2213.291 -3388.1711 3388.1711 3000 7.628635e-05 -2213.3248 -2213.3248 -3384.5945 3384.5945 3010 7.4679494e-07 -2213.3362 -2213.3362 -3382.9442 3382.9442 3020 2.9577906e-07 -2213.3368 -2213.3368 -3383.5403 3383.5403 3030 5.9795123e-07 -2213.3372 -2213.3372 -3383.4003 3383.4003 3040 7.1633161e-08 -2213.3372 -2213.3372 -3383.1957 3383.1957 3050 2.8745135e-08 -2213.3373 -2213.3373 -3383.4295 3383.4295 3059 1.0052915e-07 -2213.3373 -2213.3373 -3383.3704 3383.3704 Loop time of 0.154929 on 1 procs for 159 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26050682 -2213.33733576 -2213.33734253 Force two-norm initial, final = 0.5464 0.00890134 Force max component initial, final = 0.109358 0.000869585 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 159 159 Pair time (%) = 0.141114 (91.0827) Neigh time (%) = 0 (0) Comm time (%) = 0.00127816 (0.824999) Outpt time (%) = 0.000995159 (0.642333) Other time (%) = 0.0115421 (7.44992) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3059 0 -2213.3373 -2213.3373 -3383.3704 3383.3704 3060 5.5492894e-16 -2213.3373 -2213.3373 -3383.3704 3383.3704 Loop time of 0.00219584 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734253 -2213.33734253 -2213.33734253 Force two-norm initial, final = 0.00890134 0.00890134 Force max component initial, final = 0.000869585 0.000869585 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198507 (90.4017) Neigh time (%) = 0 (0) Comm time (%) = 1.33514e-05 (0.608035) Outpt time (%) = 0 (0) Other time (%) = 0.000197411 (8.99023) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.2962 -2213.2962 -3380.2048 3380.2048 2860 5.6594065e-10 -2213.2962 -2213.2962 -3380.2049 3380.2049 2870 6.204834e-09 -2213.2962 -2213.2962 -3380.206 3380.206 2880 3.0287971e-08 -2213.2962 -2213.2962 -3380.2107 3380.2107 2890 1.6255072e-07 -2213.2963 -2213.2963 -3380.2366 3380.2366 2900 6.3531807e-07 -2213.2966 -2213.2966 -3380.3302 3380.3302 2910 2.9302533e-06 -2213.298 -2213.298 -3380.7914 3380.7914 2920 9.3502494e-06 -2213.302 -2213.302 -3382.218 3382.218 2930 1.8134386e-05 -2213.3092 -2213.3092 -3385.9892 3385.9892 2940 2.2277211e-05 -2213.3179 -2213.3179 -3385.2033 3385.2033 2950 2.7885546e-05 -2213.3302 -2213.3302 -3385.3276 3385.3276 2960 1.6131301e-05 -2213.3355 -2213.3355 -3383.9853 3383.9853 2970 7.424147e-07 -2213.3362 -2213.3362 -3383.3387 3383.3387 2980 1.1720262e-06 -2213.3367 -2213.3367 -3383.4605 3383.4605 2990 3.9493688e-07 -2213.3371 -2213.3371 -3383.4911 3383.4911 3000 9.7623995e-08 -2213.3371 -2213.3371 -3383.4392 3383.4392 3010 2.2086447e-07 -2213.3372 -2213.3372 -3383.3904 3383.3904 3020 7.1453715e-08 -2213.3373 -2213.3373 -3383.4009 3383.4009 3030 8.6240245e-09 -2213.3373 -2213.3373 -3383.3899 3383.3899 3040 2.4320353e-08 -2213.3373 -2213.3373 -3383.401 3383.401 3048 8.1441842e-08 -2213.3373 -2213.3373 -3383.4034 3383.4034 Loop time of 0.195716 on 1 procs for 198 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29616793 -2213.33733397 -2213.33734077 Force two-norm initial, final = 0.809472 0.00796232 Force max component initial, final = 0.101619 0.000566891 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 198 198 Pair time (%) = 0.173822 (88.8133) Neigh time (%) = 0 (0) Comm time (%) = 0.00157094 (0.802663) Outpt time (%) = 0.00125527 (0.641375) Other time (%) = 0.019068 (9.74269) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3048 0 -2213.3373 -2213.3373 -3383.4034 3383.4034 3050 1.7760937e-15 -2213.3373 -2213.3373 -3383.4034 3383.4034 3060 9.3190644e-14 -2213.3373 -2213.3373 -3383.4034 3383.4034 3070 8.74032e-13 -2213.3373 -2213.3373 -3383.4034 3383.4034 3080 4.0399254e-12 -2213.3373 -2213.3373 -3383.4034 3383.4034 3090 2.1520735e-11 -2213.3373 -2213.3373 -3383.4034 3383.4034 3100 8.3216613e-11 -2213.3373 -2213.3373 -3383.4034 3383.4034 3110 4.010701e-10 -2213.3373 -2213.3373 -3383.4035 3383.4035 3115 7.4506593e-10 -2213.3373 -2213.3373 -3383.4036 3383.4036 Loop time of 0.0674729 on 1 procs for 67 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734077 -2213.33734118 -2213.33734123 Force two-norm initial, final = 0.00796232 0.00780619 Force max component initial, final = 0.000566891 0.000541564 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 67 67 Pair time (%) = 0.0595963 (88.3262) Neigh time (%) = 0 (0) Comm time (%) = 0.000530243 (0.78586) Outpt time (%) = 0.0004704 (0.697168) Other time (%) = 0.00687599 (10.1907) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2900 0 -2213.3079 -2213.3079 -3383.9409 3383.9409 2910 9.4996209e-11 -2213.3079 -2213.3079 -3383.9409 3383.9409 2920 1.0415917e-09 -2213.3079 -2213.3079 -3383.9411 3383.9411 2930 5.0862511e-09 -2213.3079 -2213.3079 -3383.942 3383.942 2940 2.7348377e-08 -2213.308 -2213.308 -3383.9471 3383.9471 2950 1.0771025e-07 -2213.308 -2213.308 -3383.9656 3383.9656 2960 5.1485134e-07 -2213.3083 -2213.3083 -3384.0583 3384.0583 2970 1.9003805e-06 -2213.3091 -2213.3091 -3384.3635 3384.3635 2980 7.6022051e-06 -2213.3123 -2213.3123 -3385.4347 3385.4347 2990 1.5542934e-05 -2213.3188 -2213.3188 -3385.5878 3385.5878 3000 2.9484101e-05 -2213.3318 -2213.3318 -3383.7931 3383.7931 3010 2.0857341e-07 -2213.337 -2213.337 -3383.5257 3383.5257 3020 1.2444496e-07 -2213.3372 -2213.3372 -3383.4076 3383.4076 3030 2.5545194e-07 -2213.3373 -2213.3373 -3383.4059 3383.4059 3040 2.1224936e-08 -2213.3373 -2213.3373 -3383.428 3383.428 3050 4.922348e-08 -2213.3374 -2213.3374 -3383.3686 3383.3686 3052 5.1489597e-08 -2213.3374 -2213.3374 -3383.3935 3383.3935 Loop time of 0.152908 on 1 procs for 152 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30793757 -2213.33736581 -2213.33736951 Force two-norm initial, final = 0.331641 0.00600408 Force max component initial, final = 0.0440265 0.000563225 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 152 152 Pair time (%) = 0.134825 (88.1742) Neigh time (%) = 0 (0) Comm time (%) = 0.00121617 (0.795362) Outpt time (%) = 0.00100899 (0.659865) Other time (%) = 0.0158575 (10.3706) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3052 0 -2213.3374 -2213.3374 -3383.3935 3383.3935 3053 2.5247576e-16 -2213.3374 -2213.3374 -3383.3935 3383.3935 Loop time of 0.00207615 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736951 -2213.33736951 -2213.33736951 Force two-norm initial, final = 0.00600408 0.00600408 Force max component initial, final = 0.000563225 0.000563225 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184798 (89.0101) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.803859) Outpt time (%) = 0 (0) Other time (%) = 0.000211477 (10.186) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2950 0 -2213.2979 -2213.2979 -3387.4123 3387.4123 2960 3.2429168e-10 -2213.2979 -2213.2979 -3387.4123 3387.4123 2970 3.5555317e-09 -2213.2979 -2213.2979 -3387.4124 3387.4124 2980 1.7357708e-08 -2213.2979 -2213.2979 -3387.4128 3387.4128 2990 9.3208018e-08 -2213.298 -2213.298 -3387.4149 3387.4149 3000 3.6513241e-07 -2213.2982 -2213.2982 -3387.4223 3387.4223 3010 1.7022192e-06 -2213.299 -2213.299 -3387.4552 3387.4552 3020 5.683349e-06 -2213.3014 -2213.3014 -3387.509 3387.509 3030 1.402215e-05 -2213.3072 -2213.3072 -3386.9239 3386.9239 3040 1.9842839e-05 -2213.3149 -2213.3149 -3385.3351 3385.3351 3050 3.2686269e-05 -2213.3298 -2213.3298 -3384.9309 3384.9309 3060 4.0761844e-06 -2213.3358 -2213.3358 -3383.6221 3383.6221 3070 4.8807797e-07 -2213.3361 -2213.3361 -3383.6491 3383.6491 3080 1.0819262e-06 -2213.3366 -2213.3366 -3383.5599 3383.5599 3090 1.2055739e-07 -2213.337 -2213.337 -3383.2923 3383.2923 3100 3.3613833e-08 -2213.3371 -2213.3371 -3383.4653 3383.4653 3110 1.5812496e-07 -2213.3371 -2213.3371 -3383.4136 3383.4136 3120 3.7092307e-07 -2213.3373 -2213.3373 -3383.4037 3383.4037 3125 7.8565455e-08 -2213.3373 -2213.3373 -3383.4148 3383.4148 Loop time of 0.171276 on 1 procs for 175 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29793441 -2213.33733108 -2213.33733983 Force two-norm initial, final = 0.612751 0.00942964 Force max component initial, final = 0.0619012 0.000649515 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 175 175 Pair time (%) = 0.154675 (90.3077) Neigh time (%) = 0 (0) Comm time (%) = 0.0014174 (0.827552) Outpt time (%) = 0.00113511 (0.662737) Other time (%) = 0.0140481 (8.20202) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3125 0 -2213.3373 -2213.3373 -3383.4148 3383.4148 3126 6.2275443e-16 -2213.3373 -2213.3373 -3383.4148 3383.4148 Loop time of 0.00207901 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733983 -2213.33733983 -2213.33733983 Force two-norm initial, final = 0.00942964 0.00942964 Force max component initial, final = 0.000649515 0.000649515 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.0367) Neigh time (%) = 0 (0) Comm time (%) = 1.78814e-05 (0.860092) Outpt time (%) = 0 (0) Other time (%) = 0.000210047 (10.1032) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3000 0 -2213.277 -2213.277 -3391.6581 3391.6581 3010 4.0672859e-10 -2213.277 -2213.277 -3391.6581 3391.6581 3020 4.4593363e-09 -2213.277 -2213.277 -3391.658 3391.658 3030 2.1769213e-08 -2213.277 -2213.277 -3391.6576 3391.6576 3040 1.1687526e-07 -2213.2771 -2213.2771 -3391.655 3391.655 3050 4.5751471e-07 -2213.2773 -2213.2773 -3391.6453 3391.6453 3060 2.1253229e-06 -2213.2783 -2213.2783 -3391.5907 3391.5907 3070 6.996351e-06 -2213.2813 -2213.2813 -3391.3353 3391.3353 3080 1.575108e-05 -2213.2877 -2213.2877 -3389.4578 3389.4578 3090 2.4655459e-05 -2213.2975 -2213.2975 -3388.2555 3388.2555 3100 5.5802104e-05 -2213.3241 -2213.3241 -3384.5886 3384.5886 3110 6.0846116e-06 -2213.3353 -2213.3353 -3383.1918 3383.1918 3120 5.6295836e-07 -2213.3355 -2213.3355 -3383.1706 3383.1706 3130 1.0451297e-06 -2213.336 -2213.336 -3383.3477 3383.3477 3140 3.2711188e-06 -2213.3368 -2213.3368 -3384.0495 3384.0495 3150 3.1407877e-08 -2213.3371 -2213.3371 -3383.4737 3383.4737 3160 1.62497e-07 -2213.3372 -2213.3372 -3383.3605 3383.3605 3170 3.171707e-08 -2213.3373 -2213.3373 -3383.2134 3383.2134 3172 9.180213e-08 -2213.3374 -2213.3374 -3383.3516 3383.3516 Loop time of 0.169297 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27699844 -2213.33734711 -2213.33735699 Force two-norm initial, final = 0.686228 0.00856208 Force max component initial, final = 0.0925357 0.000713214 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.151946 (89.7509) Neigh time (%) = 0 (0) Comm time (%) = 0.00138927 (0.820608) Outpt time (%) = 0.00112462 (0.664289) Other time (%) = 0.0148375 (8.76419) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3172 0 -2213.3374 -2213.3374 -3383.3516 3383.3516 3173 5.1343405e-16 -2213.3374 -2213.3374 -3383.3516 3383.3516 Loop time of 0.002141 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735699 -2213.33735699 -2213.33735699 Force two-norm initial, final = 0.00856208 0.00856208 Force max component initial, final = 0.000713214 0.000713214 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (86.3697) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.712695) Outpt time (%) = 0 (0) Other time (%) = 0.000276566 (12.9176) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Loop time of 39.2004 on 1 procs for 22 steps with 511 atoms TAD stats: NEB time (%) = 18.1761 (46.3671) Dynamics time (%) = 0 (0) Quench time (%) = 0 (0) Comm time (%) = 0 (0) Output time (%) = 0 (0) Other time (%) = 21.0243 (53.6329) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0