LAMMPS (18 Feb 2013) Processor partition = 0 # 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 2.30186 on 1 procs for 1000 steps with 511 atoms Pair time (%) = 2.21442 (96.2013) Neigh time (%) = 0.0377054 (1.63804) Comm time (%) = 0.00941491 (0.409013) Outpt time (%) = 0.00348258 (0.151294) Other time (%) = 0.0368371 (1.60032) 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 WARNING: Resetting reneighboring criteria during TAD (tad.cpp:186) 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 0.0564821 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 (%) = 2.26831 (4015.98) Neigh time (%) = 0.0390122 (69.07) Comm time (%) = 0.00986862 (17.4721) Outpt time (%) = 0.00362158 (6.41191) Other time (%) = -2.26433 (-4008.94) 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 1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21 1010 2430.8524 -2024.8049 -2024.8049 15955.259 -15955.259 1020 2538.6303 -2031.991 -2031.991 14995.221 -14995.221 1030 2462.1503 -2027.1591 -2027.1591 15332.692 -15332.692 1040 2392.0666 -2022.8547 -2022.8547 14546.483 -14546.483 1050 2391.548 -2023.1375 -2023.1375 13389.225 -13389.225 Loop time of 0.122974 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 1050 2391.548 -2023.1375 -2023.1375 13389.225 -13389.225 1060 2391.548 -2211.3265 -2211.3265 12874.718 -12874.718 1070 2391.548 -2213.2873 -2213.2873 13039.481 -13039.481 1071 2391.548 -2213.3077 -2213.3077 13039.313 -13039.313 Loop time of 0.0535572 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2023.13753129 -2213.28726611 -2213.30768807 Force two-norm initial, final = 69.8993 0.393595 Force max component initial, final = 5.77386 0.0351926 Final line search alpha, max atom move = 0.0625 0.00219954 Iterations, force evaluations = 21 47 Pair time (%) = 0.170968 (319.226) Neigh time (%) = 0.00265288 (4.95337) Comm time (%) = 0.000877857 (1.6391) Outpt time (%) = 0.000461102 (0.860952) Other time (%) = -0.121403 (-226.679) 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 1050 2391.548 -2023.1375 -2023.1375 13389.225 -13389.225 1060 2433.3397 -2026.2331 -2026.2331 11989.04 -11989.04 1070 2394.7085 -2024.0644 -2024.0644 12890.98 -12890.98 1080 2447.1852 -2027.9573 -2027.9573 15042.869 -15042.869 1090 2479.7814 -2030.6386 -2030.6386 15965.016 -15965.016 1100 2468.7135 -2030.6054 -2030.6054 15939.34 -15939.34 Loop time of 0.123963 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 1100 2468.7135 -2030.6054 -2030.6054 15939.34 -15939.34 1122 2468.7135 -2213.2998 -2213.2998 13547.274 -13547.274 Loop time of 0.0451009 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2030.6053966 -2213.28959352 -2213.29983791 Force two-norm initial, final = 69.6046 0.748699 Force max component initial, final = 5.74698 0.0726766 Final line search alpha, max atom move = 0.027558 0.00200282 Iterations, force evaluations = 22 38 Pair time (%) = 0.33393 (740.405) Neigh time (%) = 0.00598216 (13.2639) Comm time (%) = 0.00172853 (3.83259) Outpt time (%) = 0.000813007 (1.80264) Other time (%) = -0.297352 (-659.304) 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 = 3 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1100 2468.7135 -2030.6054 -2030.6054 15939.34 -15939.34 1110 2451.6884 -2030.3548 -2030.3548 14779.279 -14779.279 1120 2404.8236 -2028.2901 -2028.2901 15236.935 -15236.935 1130 2391.6671 -2028.5628 -2028.5628 15738.052 -15738.052 1140 2416.3849 -2031.4775 -2031.4775 14899.381 -14899.381 1150 2319.5029 -2026.4849 -2026.4849 13449.986 -13449.986 Loop time of 0.123371 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 1150 2319.5029 -2026.4849 -2026.4849 13449.986 -13449.986 1171 2319.5029 -2210.3277 -2210.3277 13036.336 -13036.336 Loop time of 0.0430419 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.4849309 -2210.31026004 -2210.32771293 Force two-norm initial, final = 68.6653 0.761559 Force max component initial, final = 6.34931 0.141109 Final line search alpha, max atom move = 0.0882148 0.0124479 Iterations, force evaluations = 21 34 Pair time (%) = 0.494397 (1148.64) Neigh time (%) = 0.00930929 (21.6284) Comm time (%) = 0.00254154 (5.9048) Outpt time (%) = 0.00114393 (2.65772) Other time (%) = -0.46435 (-1078.83) 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 = 2 Dangerous builds = 0 Memory usage per processor = 4.77839 Mbytes Step Temp PotEng pe Press press 1150 0 -2213.2803 -2213.2803 -3389.767 3389.767 1160 1.2293634e-10 -2213.2803 -2213.2803 -3389.767 3389.767 1170 1.3480228e-09 -2213.2803 -2213.2803 -3389.767 3389.767 1180 6.585273e-09 -2213.2803 -2213.2803 -3389.7667 3389.7667 1190 3.5468287e-08 -2213.2803 -2213.2803 -3389.7654 3389.7654 1200 1.409348e-07 -2213.2804 -2213.2804 -3389.7604 3389.7604 1210 6.9611141e-07 -2213.2807 -2213.2807 -3389.7341 3389.7341 1220 3.0223741e-06 -2213.2818 -2213.2818 -3389.6266 3389.6266 1230 1.3453789e-05 -2213.2869 -2213.2869 -3388.9638 3388.9638 1240 2.8194033e-05 -2213.2989 -2213.2989 -3387.6772 3387.6772 1250 4.3107605e-05 -2213.3234 -2213.3234 -3384.6685 3384.6685 1260 6.9266877e-07 -2213.335 -2213.335 -3382.8786 3382.8786 1270 2.4536711e-06 -2213.3371 -2213.3371 -3383.5094 3383.5094 1280 1.7243137e-06 -2213.3372 -2213.3372 -3383.2265 3383.2265 1290 2.0058262e-06 -2213.3372 -2213.3372 -3383.4945 3383.4945 1300 5.8724439e-07 -2213.3363 -2213.3363 -3383.667 3383.667 1310 2.8194367e-08 -2213.3369 -2213.3369 -3383.6336 3383.6336 1320 1.0958384e-07 -2213.3371 -2213.3371 -3383.1536 3383.1536 1330 9.9923794e-10 -2213.3374 -2213.3374 -3383.343 3383.343 1340 9.207078e-10 -2213.3374 -2213.3374 -3383.3976 3383.3976 1350 3.8821105e-09 -2213.3374 -2213.3374 -3383.3994 3383.3994 Loop time of 0.203286 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.28029768 -2213.33738596 -2213.33738618 Force two-norm initial, final = 0.377272 0.00293675 Force max component initial, final = 0.037084 0.000222795 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176566 (86.8559) Neigh time (%) = 0 (0) Comm time (%) = 0.00156927 (0.771953) Outpt time (%) = 0.00135732 (0.667689) Other time (%) = 0.0237935 (11.7044) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1350 0 -2213.3374 -2213.3374 -3383.3994 3383.3994 1360 7.4490628e-15 -2213.3374 -2213.3374 -3383.3994 3383.3994 1370 8.1671752e-14 -2213.3374 -2213.3374 -3383.3994 3383.3994 1380 3.9871056e-13 -2213.3374 -2213.3374 -3383.3994 3383.3994 1390 2.1411226e-12 -2213.3374 -2213.3374 -3383.3994 3383.3994 1400 8.3861109e-12 -2213.3374 -2213.3374 -3383.3993 3383.3993 1410 3.9136343e-11 -2213.3374 -2213.3374 -3383.3989 3383.3989 1420 1.3058282e-10 -2213.3374 -2213.3374 -3383.3979 3383.3979 1430 3.9376017e-10 -2213.3374 -2213.3374 -3383.3943 3383.3943 1440 1.2013545e-09 -2213.3374 -2213.3374 -3383.3952 3383.3952 1450 4.3961137e-09 -2213.3374 -2213.3374 -3383.3967 3383.3967 1460 2.7985252e-12 -2213.3374 -2213.3374 -3383.3964 3383.3964 1470 3.6999961e-11 -2213.3374 -2213.3374 -3383.3936 3383.3936 1480 1.0231377e-10 -2213.3374 -2213.3374 -3383.3959 3383.3959 1490 5.9452011e-14 -2213.3374 -2213.3374 -3383.3948 3383.3948 1500 8.929621e-12 -2213.3374 -2213.3374 -3383.3945 3383.3945 1510 5.1041064e-11 -2213.3374 -2213.3374 -3383.3948 3383.3948 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 = -2213.33738618 -2213.33738907 -2213.33738907 Force two-norm initial, final = 0.00293675 0.000224324 Force max component initial, final = 0.000222795 1.76742e-05 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 160 160 Pair time (%) = 0.141849 (88.4672) Neigh time (%) = 0 (0) Comm time (%) = 0.00127602 (0.795814) Outpt time (%) = 0.00100684 (0.627938) Other time (%) = 0.0162089 (10.109) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1150 2468.7135 -2030.6054 -2030.6054 15939.34 -15939.34 1160 2450.0338 -2030.964 -2030.964 15707.188 -15707.188 1170 2402.5655 -2029.5783 -2029.5783 14515.153 -14515.153 1180 2336.3203 -2026.9385 -2026.9385 12243.853 -12243.853 1190 2360.3644 -2030.1854 -2030.1854 11312.246 -11312.246 1200 2316.7172 -2028.8207 -2028.8207 12656.962 -12656.962 Loop time of 0.122952 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1200 2316.7172 -2028.8207 -2028.8207 12656.962 -12656.962 1220 2316.7172 -2213.2984 -2213.2984 12524.214 -12524.214 Loop time of 0.0496249 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.82067407 -2213.28714333 -2213.29839385 Force two-norm initial, final = 68.8953 0.36274 Force max component initial, final = 5.69006 0.0348831 Final line search alpha, max atom move = 0.0625 0.00218019 Iterations, force evaluations = 20 44 Pair time (%) = 0.309031 (622.734) Neigh time (%) = 0.00265789 (5.35596) Comm time (%) = 0.00214529 (4.32301) Outpt time (%) = 0.0013392 (2.69864) Other time (%) = -0.265549 (-535.112) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1200 2316.7172 -2028.8207 -2028.8207 12656.962 -12656.962 1210 2316.583 -2030.1085 -2030.1085 13835.71 -13835.71 1220 2378.8484 -2035.3052 -2035.3052 14727.641 -14727.641 1230 2451.3662 -2041.0839 -2041.0839 14467.169 -14467.169 1240 2350.9008 -2035.3342 -2035.3342 15412.774 -15412.774 1250 2313.8867 -2033.5892 -2033.5892 15053.292 -15053.292 Loop time of 0.122337 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1250 2313.8867 -2033.5892 -2033.5892 15053.292 -15053.292 1270 2313.8867 -2213.2988 -2213.2988 12509.022 -12509.022 Loop time of 0.049777 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2033.58917598 -2213.27814112 -2213.29880222 Force two-norm initial, final = 69.1923 0.521018 Force max component initial, final = 5.56363 0.0501049 Final line search alpha, max atom move = 0.0625 0.00313156 Iterations, force evaluations = 20 44 Pair time (%) = 0.476404 (957.077) Neigh time (%) = 0.00467396 (9.38979) Comm time (%) = 0.00298643 (5.99962) Outpt time (%) = 0.00167131 (3.3576) Other time (%) = -0.435959 (-875.824) 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: 14106 ave 14106 max 14106 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14106 Ave neighs/atom = 27.6047 Neighbor list builds = 1 Dangerous builds = 0 Memory usage per processor = 4.77839 Mbytes Step Temp PotEng pe Press press 1250 2313.8867 -2033.5892 -2033.5892 15053.292 -15053.292 1260 2345.5415 -2036.1713 -2036.1713 14374.94 -14374.94 1270 2401.1805 -2040.2143 -2040.2143 14399.3 -14399.3 1280 2366.7647 -2038.2481 -2038.2481 14885.572 -14885.572 1290 2318.5977 -2035.2931 -2035.2931 14569.854 -14569.854 1300 2239.5607 -2030.1562 -2030.1562 13309.325 -13309.325 Loop time of 0.122401 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1300 2239.5607 -2030.1562 -2030.1562 13309.325 -13309.325 1322 2239.5607 -2213.3188 -2213.3188 11997.117 -11997.117 Loop time of 0.0573132 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2030.15623526 -2213.30669537 -2213.31877301 Force two-norm initial, final = 69.3585 0.302025 Force max component initial, final = 5.63808 0.0350198 Final line search alpha, max atom move = 0.0532945 0.00186636 Iterations, force evaluations = 22 52 Pair time (%) = 0.649866 (1133.89) Neigh time (%) = 0.00799894 (13.9565) Comm time (%) = 0.00393867 (6.87219) Outpt time (%) = 0.00200438 (3.49725) Other time (%) = -0.606495 (-1058.21) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1300 2239.5607 -2030.1562 -2030.1562 13309.325 -13309.325 1310 2242.8166 -2030.2642 -2030.2642 12487.993 -12487.993 1320 2307.2634 -2034.2444 -2034.2444 13320.571 -13320.571 1330 2321.1775 -2034.7961 -2034.7961 14955.824 -14955.824 1340 2307.6849 -2033.4757 -2033.4757 16176.297 -16176.297 1350 2337.9317 -2034.978 -2034.978 16108.607 -16108.607 Loop time of 0.12345 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1350 2337.9317 -2034.978 -2034.978 16108.607 -16108.607 1373 2337.9317 -2213.3089 -2213.3089 12672.3 -12672.3 Loop time of 0.0557199 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2034.97795686 -2213.30100263 -2213.3089301 Force two-norm initial, final = 68.9357 0.273115 Force max component initial, final = 6.15529 0.0256468 Final line search alpha, max atom move = 0.0581532 0.00149145 Iterations, force evaluations = 23 50 Pair time (%) = 0.822787 (1476.65) Neigh time (%) = 0.011353 (20.3752) Comm time (%) = 0.00485826 (8.71907) Outpt time (%) = 0.0023365 (4.1933) Other time (%) = -0.785615 (-1409.94) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1350 2337.9317 -2034.978 -2034.978 16108.607 -16108.607 1360 2379.7013 -2037.2005 -2037.2005 15576.415 -15576.415 1370 2328.7096 -2033.2987 -2033.2987 16212.536 -16212.536 1380 2372.7819 -2035.6476 -2035.6476 16211 -16211 1390 2384.0756 -2035.8152 -2035.8152 14631.898 -14631.898 1400 2335.1993 -2032.0253 -2032.0253 14685.548 -14685.548 Loop time of 0.122259 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1400 2335.1993 -2032.0253 -2032.0253 14685.548 -14685.548 1421 2335.1993 -2213.2409 -2213.2409 12643.486 -12643.486 Loop time of 0.0437291 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2032.02526822 -2213.21964825 -2213.24088219 Force two-norm initial, final = 70.6909 0.497654 Force max component initial, final = 6.9718 0.0742048 Final line search alpha, max atom move = 0.0465974 0.00345775 Iterations, force evaluations = 21 36 Pair time (%) = 0.982791 (2247.46) Neigh time (%) = 0.0146751 (33.5592) Comm time (%) = 0.00567532 (12.9784) Outpt time (%) = 0.0026803 (6.12934) Other time (%) = -0.962093 (-2200.12) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 4.77839 Mbytes Step Temp PotEng pe Press press 1400 2335.1993 -2032.0253 -2032.0253 14685.548 -14685.548 1410 2354.9257 -2032.7295 -2032.7295 14319.623 -14319.623 1420 2378.0922 -2033.6267 -2033.6267 15413.843 -15413.843 1430 2351.2257 -2031.2228 -2031.2228 15906.851 -15906.851 1440 2313.74 -2028.0917 -2028.0917 15302.028 -15302.028 1450 2325.0789 -2028.1237 -2028.1237 14743.419 -14743.419 Loop time of 0.123269 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1450 2325.0789 -2028.1237 -2028.1237 14743.419 -14743.419 1476 2325.0789 -2213.3205 -2213.3205 12583.713 -12583.713 Loop time of 0.0616388 on 1 procs for 26 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.12374332 -2213.30314048 -2213.32054972 Force two-norm initial, final = 68.546 0.355936 Force max component initial, final = 5.95446 0.0457529 Final line search alpha, max atom move = 0.0806527 0.0036901 Iterations, force evaluations = 26 54 Pair time (%) = 1.16071 (1883.08) Neigh time (%) = 0.0186419 (30.2438) Comm time (%) = 0.00666094 (10.8064) Outpt time (%) = 0.00301719 (4.89495) Other time (%) = -1.12739 (-1829.02) 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 = 3 Dangerous builds = 0 Memory usage per processor = 4.77839 Mbytes Step Temp PotEng pe Press press 1450 2325.0789 -2028.1237 -2028.1237 14743.419 -14743.419 1460 2284.4662 -2024.6435 -2024.6435 15892.614 -15892.614 1470 2391.1728 -2030.8171 -2030.8171 15498.479 -15498.479 1480 2428.9773 -2032.413 -2032.413 14397.915 -14397.915 1490 2424.1657 -2031.2942 -2031.2942 14902.55 -14902.55 1500 2447.1067 -2032.0929 -2032.0929 15784.55 -15784.55 Loop time of 0.12392 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1500 2447.1067 -2032.0929 -2032.0929 15784.55 -15784.55 1521 2447.1067 -2213.2962 -2213.2962 13420.954 -13420.954 Loop time of 0.0542688 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2032.09294403 -2213.28651282 -2213.29624754 Force two-norm initial, final = 71.5021 0.394527 Force max component initial, final = 6.93406 0.0395161 Final line search alpha, max atom move = 0.0625 0.00246975 Iterations, force evaluations = 21 49 Pair time (%) = 1.33341 (2457.04) Neigh time (%) = 0.0213177 (39.2817) Comm time (%) = 0.00754619 (13.9052) Outpt time (%) = 0.00335193 (6.17652) Other time (%) = -1.31136 (-2416.41) 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: 14212 ave 14212 max 14212 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14212 Ave neighs/atom = 27.8121 Neighbor list builds = 1 Dangerous builds = 0 Memory usage per processor = 4.77839 Mbytes Step Temp PotEng pe Press press 1500 2447.1067 -2032.0929 -2032.0929 15784.55 -15784.55 1510 2443.6577 -2031.2286 -2031.2286 15628.885 -15628.885 1520 2488.9026 -2033.6953 -2033.6953 15808.791 -15808.791 1530 2459.4391 -2031.3676 -2031.3676 17378.949 -17378.949 1540 2338.2349 -2023.0841 -2023.0841 17953.364 -17953.364 1550 2332.3338 -2022.3745 -2022.3745 17051.483 -17051.483 Loop time of 0.123458 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1550 2332.3338 -2022.3745 -2022.3745 17051.483 -17051.483 1570 2332.3338 -2213.2368 -2213.2368 12622.371 -12622.371 Loop time of 0.0410709 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2022.37445008 -2213.21878408 -2213.23675492 Force two-norm initial, final = 71.9734 0.469509 Force max component initial, final = 5.93253 0.0569166 Final line search alpha, max atom move = 0.0415942 0.0023674 Iterations, force evaluations = 20 33 Pair time (%) = 1.492 (3632.74) Neigh time (%) = 0.0246596 (60.0416) Comm time (%) = 0.00833511 (20.2944) Outpt time (%) = 0.00368404 (8.96995) Other time (%) = -1.48761 (-3622.05) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1550 0 -2213.2803 -2213.2803 -3389.767 3389.767 1560 1.2293578e-10 -2213.2803 -2213.2803 -3389.767 3389.767 1570 1.3479355e-09 -2213.2803 -2213.2803 -3389.767 3389.767 1580 6.582157e-09 -2213.2803 -2213.2803 -3389.7667 3389.7667 1590 3.5391063e-08 -2213.2803 -2213.2803 -3389.7654 3389.7654 1600 1.3938164e-07 -2213.2804 -2213.2804 -3389.7604 3389.7604 1610 6.6622249e-07 -2213.2807 -2213.2807 -3389.7345 3389.7345 1620 2.4733767e-06 -2213.2818 -2213.2818 -3389.635 3389.635 1630 1.1129842e-05 -2213.2862 -2213.2862 -3389.0598 3389.0598 1640 2.8870809e-05 -2213.2981 -2213.2981 -3387.764 3387.764 1650 5.8599236e-05 -2213.3257 -2213.3257 -3384.4536 3384.4536 1660 4.6871987e-07 -2213.337 -2213.337 -3383.3554 3383.3554 1670 1.0264859e-07 -2213.3372 -2213.3372 -3383.4631 3383.4631 1680 2.3227749e-07 -2213.3373 -2213.3373 -3383.3703 3383.3703 1690 1.9610675e-08 -2213.3373 -2213.3373 -3383.2015 3383.2015 1700 9.0128602e-09 -2213.3374 -2213.3374 -3383.3943 3383.3943 1710 2.2988367e-08 -2213.3374 -2213.3374 -3383.4201 3383.4201 1716 3.9907528e-09 -2213.3374 -2213.3374 -3383.3906 3383.3906 Loop time of 0.166738 on 1 procs for 166 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28029768 -2213.33738185 -2213.33738254 Force two-norm initial, final = 0.377272 0.00622571 Force max component initial, final = 0.037084 0.000542578 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.147628 (88.5386) Neigh time (%) = 0 (0) Comm time (%) = 0.00133038 (0.797884) Outpt time (%) = 0.00107861 (0.646886) Other time (%) = 0.0167015 (10.0166) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1716 0 -2213.3374 -2213.3374 -3383.3906 3383.3906 1717 2.7145901e-16 -2213.3374 -2213.3374 -3383.3906 3383.3906 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 = -2213.33738254 -2213.33738254 -2213.33738254 Force two-norm initial, final = 0.00622571 0.00622571 Force max component initial, final = 0.000542578 0.000542578 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186205 (86.2031) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.728477) Outpt time (%) = 0 (0) Other time (%) = 0.000282288 (13.0684) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1550 2447.1067 -2032.0929 -2032.0929 15784.55 -15784.55 1560 2437.8965 -2031.1344 -2031.1344 15018.495 -15018.495 1570 2450.0556 -2031.657 -2031.657 14645.896 -14645.896 1580 2419.2295 -2029.4355 -2029.4355 15853.042 -15853.042 1590 2318.7301 -2022.6226 -2022.6226 16296.975 -16296.975 1600 2364.4581 -2025.4131 -2025.4131 15132.904 -15132.904 Loop time of 0.123997 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1600 2364.4581 -2025.4131 -2025.4131 15132.904 -15132.904 1623 2364.4581 -2213.28 -2213.28 12846.272 -12846.272 Loop time of 0.0467551 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.41313107 -2213.25949829 -2213.27996825 Force two-norm initial, final = 69.0138 0.527909 Force max component initial, final = 5.99602 0.0845644 Final line search alpha, max atom move = 0.0593485 0.00501877 Iterations, force evaluations = 23 37 Pair time (%) = 0.165908 (354.844) Neigh time (%) = 0.0039947 (8.54389) Comm time (%) = 0.000879526 (1.88114) Outpt time (%) = 0.000331879 (0.709824) Other time (%) = -0.124359 (-265.979) 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 = 3 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 1600 2364.4581 -2025.4131 -2025.4131 15132.904 -15132.904 1610 2354.0414 -2024.4305 -2024.4305 15736.559 -15736.559 1620 2396.4917 -2026.9072 -2026.9072 16342.979 -16342.979 1630 2430.595 -2028.8291 -2028.8291 15892.469 -15892.469 1640 2410.6411 -2027.2313 -2027.2313 14717.705 -14717.705 1650 2392.4298 -2025.773 -2025.773 15099.852 -15099.852 Loop time of 0.123582 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1650 2392.4298 -2025.773 -2025.773 15099.852 -15099.852 1673 2392.4298 -2213.2735 -2213.2735 13051.208 -13051.208 Loop time of 0.0474951 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.77299308 -2213.25586756 -2213.27350161 Force two-norm initial, final = 71.6522 0.710386 Force max component initial, final = 7.10749 0.0913007 Final line search alpha, max atom move = 0.0970738 0.00886291 Iterations, force evaluations = 23 39 Pair time (%) = 0.33025 (695.334) Neigh time (%) = 0.0079968 (16.8371) Comm time (%) = 0.00172782 (3.63789) Outpt time (%) = 0.000659227 (1.38799) Other time (%) = -0.293138 (-617.197) 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 = 3 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 1650 2392.4298 -2025.773 -2025.773 15099.852 -15099.852 1660 2451.4112 -2029.4204 -2029.4204 15101.457 -15101.457 1670 2443.5878 -2028.7181 -2028.7181 16758.594 -16758.594 1680 2398.0057 -2025.5787 -2025.5787 16811.812 -16811.812 1690 2453.358 -2029.1268 -2029.1268 16019.103 -16019.103 1700 2414.2831 -2026.4921 -2026.4921 16738.51 -16738.51 Loop time of 0.123054 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1700 2414.2831 -2026.4921 -2026.4921 16738.51 -16738.51 1726 2414.2831 -2213.3246 -2213.3246 13197.287 -13197.287 Loop time of 0.0707591 on 1 procs for 26 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.49205529 -2213.30279569 -2213.32463058 Force two-norm initial, final = 70.0227 0.42376 Force max component initial, final = 6.29725 0.0581802 Final line search alpha, max atom move = 0.028783 0.0016746 Iterations, force evaluations = 26 65 Pair time (%) = 0.51761 (731.51) Neigh time (%) = 0.0113139 (15.9894) Comm time (%) = 0.00275254 (3.89002) Outpt time (%) = 0.000997305 (1.40944) Other time (%) = -0.461915 (-652.799) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1700 2414.2831 -2026.4921 -2026.4921 16738.51 -16738.51 1710 2385.47 -2024.5596 -2024.5596 16974.622 -16974.622 1720 2406.5986 -2025.9141 -2025.9141 15614.91 -15614.91 1730 2400.3226 -2025.4617 -2025.4617 13759.796 -13759.796 1740 2338.2894 -2021.3223 -2021.3223 12772.041 -12772.041 1750 2316.9935 -2019.7914 -2019.7914 14092.253 -14092.253 Loop time of 0.124376 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1750 2316.9935 -2019.7914 -2019.7914 14092.253 -14092.253 1770 2316.9935 -2213.3014 -2213.3014 12528.09 -12528.09 Loop time of 0.0475581 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2019.79140152 -2213.28686383 -2213.3013638 Force two-norm initial, final = 70.8548 0.428751 Force max component initial, final = 5.71038 0.0410237 Final line search alpha, max atom move = 0.0625 0.00256398 Iterations, force evaluations = 20 41 Pair time (%) = 0.683465 (1437.12) Neigh time (%) = 0.0146556 (30.8162) Comm time (%) = 0.00360584 (7.58198) Outpt time (%) = 0.00134301 (2.82394) Other time (%) = -0.655511 (-1378.34) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1750 2316.9935 -2019.7914 -2019.7914 14092.253 -14092.253 1760 2405.7059 -2025.418 -2025.418 15137.764 -15137.764 1770 2438.1695 -2027.2755 -2027.2755 15841.015 -15841.015 1780 2502.8132 -2031.2851 -2031.2851 14500.989 -14500.989 1790 2443.863 -2027.1985 -2027.1985 14965.597 -14965.597 1800 2405.2674 -2024.4821 -2024.4821 15833.365 -15833.365 Loop time of 0.123399 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1800 2405.2674 -2024.4821 -2024.4821 15833.365 -15833.365 1821 2405.2674 -2213.2836 -2213.2836 13129.174 -13129.174 Loop time of 0.0528369 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2024.48213691 -2213.26771601 -2213.28363816 Force two-norm initial, final = 70.4444 0.430263 Force max component initial, final = 5.80469 0.0500395 Final line search alpha, max atom move = 0.0625 0.00312747 Iterations, force evaluations = 21 46 Pair time (%) = 0.853526 (1615.4) Neigh time (%) = 0.0179822 (34.0335) Comm time (%) = 0.00452518 (8.56444) Outpt time (%) = 0.00167394 (3.16812) Other time (%) = -0.824871 (-1561.16) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1800 2405.2674 -2024.4821 -2024.4821 15833.365 -15833.365 1810 2435.4157 -2026.2456 -2026.2456 16188.616 -16188.616 1820 2550.7144 -2033.613 -2033.613 15129.687 -15129.687 1830 2471.3377 -2028.2167 -2028.2167 14861.502 -14861.502 1840 2372.2352 -2021.6062 -2021.6062 14417.267 -14417.267 1850 2376.2285 -2021.7491 -2021.7491 13556.078 -13556.078 Loop time of 0.123943 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1850 2376.2285 -2021.7491 -2021.7491 13556.078 -13556.078 1873 2376.2285 -2213.2666 -2213.2666 12928.482 -12928.482 Loop time of 0.0595529 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2021.74913752 -2213.25478708 -2213.26656047 Force two-norm initial, final = 69.7667 0.525739 Force max component initial, final = 5.72779 0.0674755 Final line search alpha, max atom move = 0.0504634 0.00340504 Iterations, force evaluations = 23 54 Pair time (%) = 1.03137 (1731.86) Neigh time (%) = 0.0206554 (34.6841) Comm time (%) = 0.00547576 (9.19478) Outpt time (%) = 0.00201964 (3.39134) Other time (%) = -0.999971 (-1679.13) 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: 14254 ave 14254 max 14254 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14254 Ave neighs/atom = 27.8943 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 1850 2376.2285 -2021.7491 -2021.7491 13556.078 -13556.078 1860 2407.6109 -2023.6441 -2023.6441 11287.058 -11287.058 1870 2355.5987 -2019.9978 -2019.9978 11705.03 -11705.03 1880 2412.2234 -2023.4647 -2023.4647 14028.114 -14028.114 1890 2469.2398 -2026.9293 -2026.9293 15514.265 -15514.265 1900 2451.8514 -2025.5487 -2025.5487 15940.896 -15940.896 Loop time of 0.123883 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1900 2451.8514 -2025.5487 -2025.5487 15940.896 -15940.896 1922 2451.8514 -2213.2983 -2213.2983 13457.682 -13457.682 Loop time of 0.0457449 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.54874146 -2213.27793659 -2213.29830868 Force two-norm initial, final = 70.348 0.511197 Force max component initial, final = 6.72633 0.0814856 Final line search alpha, max atom move = 0.067995 0.00554061 Iterations, force evaluations = 22 38 Pair time (%) = 1.19502 (2612.35) Neigh time (%) = 0.0239522 (52.3605) Comm time (%) = 0.00631666 (13.8085) Outpt time (%) = 0.00235081 (5.13895) Other time (%) = -1.18189 (-2583.66) 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 = 3 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 1900 2451.8514 -2025.5487 -2025.5487 15940.896 -15940.896 1910 2474.6487 -2026.8909 -2026.8909 15097.404 -15097.404 1920 2486.8776 -2027.6232 -2027.6232 15112.4 -15112.4 1930 2462.5329 -2026.053 -2026.053 16265.725 -16265.725 1940 2468.7884 -2026.5977 -2026.5977 16342.063 -16342.063 1950 2454.4705 -2025.8914 -2025.8914 14932.386 -14932.386 Loop time of 0.123903 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1950 2454.4705 -2025.8914 -2025.8914 14932.386 -14932.386 1975 2454.4705 -2210.3201 -2210.3201 13872.834 -13872.834 Loop time of 0.0564349 on 1 procs for 25 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.89138161 -2210.30231607 -2210.32008705 Force two-norm initial, final = 68.0079 0.420868 Force max component initial, final = 5.77343 0.164469 Final line search alpha, max atom move = 0.0625 0.0102793 Iterations, force evaluations = 25 47 Pair time (%) = 1.3684 (2424.73) Neigh time (%) = 0.0279608 (49.5452) Comm time (%) = 0.00724936 (12.8455) Outpt time (%) = 0.00270772 (4.79796) Other time (%) = -1.34988 (-2391.92) 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: 14226 ave 14226 max 14226 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14226 Ave neighs/atom = 27.8395 Neighbor list builds = 3 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.2803 -2213.2803 -3389.767 3389.767 1960 1.2293623e-10 -2213.2803 -2213.2803 -3389.767 3389.767 1970 1.3480065e-09 -2213.2803 -2213.2803 -3389.767 3389.767 1980 6.5846896e-09 -2213.2803 -2213.2803 -3389.7667 3389.7667 1990 3.5453828e-08 -2213.2803 -2213.2803 -3389.7654 3389.7654 2000 1.4064381e-07 -2213.2804 -2213.2804 -3389.7604 3389.7604 2010 6.905199e-07 -2213.2807 -2213.2807 -3389.7341 3389.7341 2020 2.9268801e-06 -2213.2818 -2213.2818 -3389.628 3389.628 2030 1.4218111e-05 -2213.2869 -2213.2869 -3388.9638 3388.9638 2040 3.1566773e-05 -2213.2998 -2213.2998 -3387.5782 3387.5782 2050 7.1239418e-08 -2213.3199 -2213.3199 -3384.9933 3384.9933 2060 7.3024408e-06 -2213.3242 -2213.3242 -3384.8796 3384.8796 2070 2.0615153e-06 -2213.3273 -2213.3273 -3384.4838 3384.4838 2080 7.117834e-06 -2213.332 -2213.332 -3384.0174 3384.0174 2090 1.4015265e-06 -2213.3328 -2213.3328 -3383.8306 3383.8306 2100 5.935809e-09 -2213.3351 -2213.3351 -3383.6756 3383.6756 2110 3.4097887e-08 -2213.3352 -2213.3352 -3383.6311 3383.6311 2120 4.189493e-07 -2213.3354 -2213.3354 -3383.6086 3383.6086 2130 1.7180476e-06 -2213.3364 -2213.3364 -3383.497 3383.497 2140 7.999364e-08 -2213.3369 -2213.3369 -3383.4439 3383.4439 2150 9.7971513e-10 -2213.3372 -2213.3372 -3383.418 3383.418 Loop time of 0.203041 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.28029768 -2213.33716526 -2213.33716526 Force two-norm initial, final = 0.377272 0.0163296 Force max component initial, final = 0.037084 0.001296 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.177054 (87.2009) Neigh time (%) = 0 (0) Comm time (%) = 0.00160122 (0.788618) Outpt time (%) = 0.00136328 (0.671429) Other time (%) = 0.0230229 (11.339) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.3372 -2213.3372 -3383.418 3383.418 2160 2.3031486e-13 -2213.3372 -2213.3372 -3383.418 3383.418 2170 2.525488e-12 -2213.3372 -2213.3372 -3383.418 3383.418 2180 1.2337709e-11 -2213.3372 -2213.3372 -3383.418 3383.418 2190 6.6471187e-11 -2213.3372 -2213.3372 -3383.418 3383.418 2200 2.6424992e-10 -2213.3372 -2213.3372 -3383.418 3383.418 2210 1.3136501e-09 -2213.3372 -2213.3372 -3383.418 3383.418 2220 5.9413545e-09 -2213.3372 -2213.3372 -3383.4182 3383.4182 2230 4.5559834e-08 -2213.3372 -2213.3372 -3383.4177 3383.4177 2240 7.8102543e-08 -2213.3372 -2213.3372 -3383.4116 3383.4116 2250 1.5359732e-07 -2213.3373 -2213.3373 -3383.4037 3383.4037 2260 6.0889911e-10 -2213.3373 -2213.3373 -3383.4001 3383.4001 2263 2.0369847e-09 -2213.3373 -2213.3373 -3383.4 3383.4 Loop time of 0.116555 on 1 procs for 113 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33716526 -2213.33733501 -2213.33733534 Force two-norm initial, final = 0.0163296 0.00794995 Force max component initial, final = 0.001296 0.000626361 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 113 113 Pair time (%) = 0.101136 (86.7715) Neigh time (%) = 0 (0) Comm time (%) = 0.000917435 (0.787126) Outpt time (%) = 0.000751972 (0.645165) Other time (%) = 0.0137491 (11.7963) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 1950 2451.8514 -2025.5487 -2025.5487 15940.896 -15940.896 1960 2467.9578 -2026.9423 -2026.9423 15503.375 -15503.375 1970 2409.9267 -2023.5373 -2023.5373 14002.928 -14002.928 1980 2352.0523 -2020.1461 -2020.1461 11666.254 -11666.254 1990 2402.4539 -2023.8795 -2023.8795 11235.638 -11235.638 2000 2369.8064 -2022.1284 -2022.1284 13485.956 -13485.956 Loop time of 0.124669 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 2000 2369.8064 -2022.1284 -2022.1284 13485.956 -13485.956 2023 2369.8064 -2213.266 -2213.266 12884.387 -12884.387 Loop time of 0.059484 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2022.12839512 -2213.25510432 -2213.26601158 Force two-norm initial, final = 69.6885 0.558999 Force max component initial, final = 5.71921 0.0652361 Final line search alpha, max atom move = 0.0460811 0.00300615 Iterations, force evaluations = 23 54 Pair time (%) = 0.279678 (470.173) Neigh time (%) = 0.00266719 (4.48388) Comm time (%) = 0.00185657 (3.12112) Outpt time (%) = 0.00108695 (1.8273) Other time (%) = -0.225804 (-379.605) 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: 14254 ave 14254 max 14254 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14254 Ave neighs/atom = 27.8943 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2000 2369.8064 -2022.1284 -2022.1284 13485.956 -13485.956 2010 2364.3999 -2022.148 -2022.148 14334.066 -14334.066 2020 2461.4242 -2028.9055 -2028.9055 14772.344 -14772.344 2030 2538.5128 -2034.478 -2034.478 15027.408 -15027.408 2040 2421.285 -2027.3772 -2027.3772 16053.901 -16053.901 2050 2388.0324 -2025.875 -2025.875 15679.248 -15679.248 Loop time of 0.123645 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 2050 2388.0324 -2025.875 -2025.875 15679.248 -15679.248 2070 2388.0324 -2213.2931 -2213.2931 13017.511 -13017.511 Loop time of 0.049824 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.87495581 -2213.27597165 -2213.29307589 Force two-norm initial, final = 70.2281 0.458784 Force max component initial, final = 5.77591 0.0435487 Final line search alpha, max atom move = 0.0625 0.00272179 Iterations, force evaluations = 20 43 Pair time (%) = 0.447772 (898.708) Neigh time (%) = 0.00531411 (10.6658) Comm time (%) = 0.00271821 (5.45562) Outpt time (%) = 0.00141811 (2.84625) Other time (%) = -0.407399 (-817.676) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2050 2388.0324 -2025.875 -2025.875 15679.248 -15679.248 2060 2423.7499 -2028.928 -2028.928 14797.484 -14797.484 2070 2477.6452 -2033.2573 -2033.2573 14299.635 -14299.635 2080 2408.6175 -2029.5638 -2029.5638 15555.207 -15555.207 2090 2372.4039 -2028.0661 -2028.0661 14836.674 -14836.674 2100 2282.807 -2022.9728 -2022.9728 13771.126 -13771.126 Loop time of 0.123437 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 2100 2282.807 -2022.9728 -2022.9728 13771.126 -13771.126 2120 2282.807 -2213.2156 -2213.2156 12282.723 -12282.723 Loop time of 0.0512791 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2022.97276185 -2213.19711006 -2213.21557385 Force two-norm initial, final = 70.3768 0.533567 Force max component initial, final = 5.70703 0.043842 Final line search alpha, max atom move = 0.0625 0.00274013 Iterations, force evaluations = 20 45 Pair time (%) = 0.61635 (1201.95) Neigh time (%) = 0.0086472 (16.863) Comm time (%) = 0.00361896 (7.05737) Outpt time (%) = 0.00175905 (3.43035) Other time (%) = -0.579096 (-1129.3) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2100 2282.807 -2022.9728 -2022.9728 13771.126 -13771.126 2110 2303.0425 -2024.9919 -2024.9919 12464.857 -12464.857 2120 2360.9763 -2029.4016 -2029.4016 13469.132 -13469.132 2130 2363.428 -2030.1043 -2030.1043 15280.156 -15280.156 2140 2342.1302 -2029.1946 -2029.1946 16537.826 -16537.826 2150 2370.913 -2031.5335 -2031.5335 16284.533 -16284.533 Loop time of 0.123413 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 2150 2370.913 -2031.5335 -2031.5335 16284.533 -16284.533 2172 2370.913 -2213.2741 -2213.2741 12894.857 -12894.857 Loop time of 0.0551929 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2031.53348965 -2213.25302514 -2213.27406396 Force two-norm initial, final = 69.2835 0.495764 Force max component initial, final = 6.18767 0.0542698 Final line search alpha, max atom move = 0.0913083 0.00495528 Iterations, force evaluations = 22 48 Pair time (%) = 0.789444 (1430.33) Neigh time (%) = 0.0113192 (20.5083) Comm time (%) = 0.00449848 (8.15046) Outpt time (%) = 0.00209904 (3.80309) Other time (%) = -0.752167 (-1362.8) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2150 2370.913 -2031.5335 -2031.5335 16284.533 -16284.533 2160 2400.3409 -2033.8995 -2033.8995 15589.868 -15589.868 2170 2348.0106 -2030.8573 -2030.8573 16356.67 -16356.67 2180 2399.9374 -2034.6691 -2034.6691 16392.913 -16392.913 2190 2392.6986 -2034.5821 -2034.5821 14814.071 -14814.071 2200 2336.5644 -2031.2602 -2031.2602 14750.624 -14750.624 Loop time of 0.122897 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 2200 2336.5644 -2031.2602 -2031.2602 14750.624 -14750.624 2223 2336.5644 -2213.3242 -2213.3242 12661.654 -12661.654 Loop time of 0.0523388 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2031.26024694 -2213.31614498 -2213.32423269 Force two-norm initial, final = 70.9283 0.258479 Force max component initial, final = 7.02882 0.0290686 Final line search alpha, max atom move = 0.0625 0.00181679 Iterations, force evaluations = 23 46 Pair time (%) = 0.958479 (1831.3) Neigh time (%) = 0.014636 (27.964) Comm time (%) = 0.00542045 (10.3565) Outpt time (%) = 0.00244665 (4.67464) Other time (%) = -0.928643 (-1774.29) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2200 2336.5644 -2031.2602 -2031.2602 14750.624 -14750.624 2210 2363.9784 -2033.4005 -2033.4005 14304.095 -14304.095 2220 2380.8813 -2034.8176 -2034.8176 15468.497 -15468.497 2230 2334.4264 -2032.0386 -2032.0386 15695.223 -15695.223 2240 2300.4389 -2030.0067 -2030.0067 14961.51 -14961.51 2250 2320.446 -2031.4408 -2031.4408 14781.77 -14781.77 Loop time of 0.123225 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 2250 2320.446 -2031.4408 -2031.4408 14781.77 -14781.77 2274 2320.446 -2213.3097 -2213.3097 12553.201 -12553.201 Loop time of 0.0591071 on 1 procs for 24 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2031.44077479 -2213.29969082 -2213.30965358 Force two-norm initial, final = 68.1189 0.544409 Force max component initial, final = 6.02231 0.0685961 Final line search alpha, max atom move = 0.0411842 0.00282508 Iterations, force evaluations = 24 53 Pair time (%) = 1.1345 (1919.4) Neigh time (%) = 0.0179794 (30.4183) Comm time (%) = 0.00637579 (10.7868) Outpt time (%) = 0.00277662 (4.69762) Other time (%) = -1.10253 (-1865.31) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2250 2320.446 -2031.4408 -2031.4408 14781.77 -14781.77 2260 2281.9259 -2028.8832 -2028.8832 15752.238 -15752.238 2270 2394.7093 -2036.2025 -2036.2025 15297.619 -15297.619 2280 2419.656 -2037.661 -2037.661 14545.965 -14545.965 2290 2383.4904 -2035.0994 -2035.0994 15599.399 -15599.399 2300 2408.8886 -2036.5771 -2036.5771 15325.052 -15325.052 Loop time of 0.124343 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 2300 2408.8886 -2036.5771 -2036.5771 15325.052 -15325.052 2319 2408.8886 -2213.2667 -2213.2667 13151.43 -13151.43 Loop time of 0.0462101 on 1 procs for 19 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2036.57712767 -2213.24687627 -2213.26670703 Force two-norm initial, final = 70.4509 0.398542 Force max component initial, final = 6.75559 0.0464079 Final line search alpha, max atom move = 0.0481053 0.00223247 Iterations, force evaluations = 19 41 Pair time (%) = 1.29966 (2812.51) Neigh time (%) = 0.0206616 (44.7123) Comm time (%) = 0.00721025 (15.6032) Outpt time (%) = 0.00311589 (6.74289) Other time (%) = -1.28444 (-2779.57) 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: 14228 ave 14228 max 14228 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14228 Ave neighs/atom = 27.8434 Neighbor list builds = 1 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2300 2408.8886 -2036.5771 -2036.5771 15325.052 -15325.052 2310 2405.8437 -2036.1356 -2036.1356 15011.491 -15011.491 2320 2425.8321 -2037.2129 -2037.2129 15359.878 -15359.878 2330 2368.616 -2033.1838 -2033.1838 16679.877 -16679.877 2340 2275.7419 -2026.7338 -2026.7338 16705.722 -16705.722 2350 2286.6615 -2026.9425 -2026.9425 15695.986 -15695.986 Loop time of 0.123221 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 2350 2286.6615 -2026.9425 -2026.9425 15695.986 -15695.986 2374 2286.6615 -2213.3234 -2213.3234 12320.682 -12320.682 Loop time of 0.05565 on 1 procs for 24 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.94246229 -2213.30179501 -2213.32344573 Force two-norm initial, final = 70.9346 0.528634 Force max component initial, final = 5.77336 0.0645651 Final line search alpha, max atom move = 0.08361 0.00539828 Iterations, force evaluations = 24 49 Pair time (%) = 1.47303 (2646.96) Neigh time (%) = 0.0233097 (41.8863) Comm time (%) = 0.00810218 (14.5592) Outpt time (%) = 0.0034461 (6.19246) Other time (%) = -1.45224 (-2609.59) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.2803 -2213.2803 -3389.767 3389.767 2360 1.2293581e-10 -2213.2803 -2213.2803 -3389.767 3389.767 2370 1.3479408e-09 -2213.2803 -2213.2803 -3389.767 3389.767 2380 6.5823455e-09 -2213.2803 -2213.2803 -3389.7667 3389.7667 2390 3.539574e-08 -2213.2803 -2213.2803 -3389.7654 3389.7654 2400 1.3947615e-07 -2213.2804 -2213.2804 -3389.7604 3389.7604 2410 6.6808683e-07 -2213.2807 -2213.2807 -3389.7345 3389.7345 2420 2.5125301e-06 -2213.2818 -2213.2818 -3389.6344 3389.6344 2430 1.2399436e-05 -2213.2864 -2213.2864 -3389.0397 3389.0397 2440 2.9841643e-05 -2213.2986 -2213.2986 -3387.701 3387.701 2450 4.94033e-05 -2213.3251 -2213.3251 -3384.4832 3384.4832 2460 1.4808742e-06 -2213.3363 -2213.3363 -3383.6796 3383.6796 2470 3.9709003e-07 -2213.3365 -2213.3365 -3383.496 3383.496 2480 5.6174555e-07 -2213.3367 -2213.3367 -3383.5027 3383.5027 2490 1.4981041e-07 -2213.3368 -2213.3368 -3383.4383 3383.4383 2500 3.2618808e-08 -2213.3368 -2213.3368 -3383.4443 3383.4443 2510 2.4926532e-07 -2213.337 -2213.337 -3383.4333 3383.4333 2520 6.1449721e-07 -2213.3373 -2213.3373 -3383.3874 3383.3874 2527 1.4229395e-08 -2213.3374 -2213.3374 -3383.3825 3383.3825 Loop time of 0.178358 on 1 procs for 177 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28029768 -2213.33737305 -2213.33737367 Force two-norm initial, final = 0.377272 0.00613089 Force max component initial, final = 0.037084 0.000516781 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 177 177 Pair time (%) = 0.15786 (88.5071) Neigh time (%) = 0 (0) Comm time (%) = 0.00143552 (0.804852) Outpt time (%) = 0.00114226 (0.640433) Other time (%) = 0.0179207 (10.0476) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 2527 0 -2213.3374 -2213.3374 -3383.3825 3383.3825 2530 2.3692739e-15 -2213.3374 -2213.3374 -3383.3825 3383.3825 2540 7.1113803e-14 -2213.3374 -2213.3374 -3383.3825 3383.3825 2550 6.1063882e-13 -2213.3374 -2213.3374 -3383.3825 3383.3825 2560 2.8200725e-12 -2213.3374 -2213.3374 -3383.3825 3383.3825 2570 1.4626876e-11 -2213.3374 -2213.3374 -3383.3826 3383.3826 2580 5.6811715e-11 -2213.3374 -2213.3374 -3383.3828 3383.3828 2584 1.057777e-10 -2213.3374 -2213.3374 -3383.3831 3383.3831 Loop time of 0.0581388 on 1 procs for 57 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737367 -2213.33737372 -2213.33737373 Force two-norm initial, final = 0.00613089 0.00594805 Force max component initial, final = 0.000516781 0.000498818 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 57 57 Pair time (%) = 0.0513735 (88.3634) Neigh time (%) = 0 (0) Comm time (%) = 0.000460148 (0.791464) Outpt time (%) = 0.000411987 (0.708627) Other time (%) = 0.00589323 (10.1365) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 2350 2408.8886 -2036.5771 -2036.5771 15325.052 -15325.052 2360 2395.299 -2034.9629 -2034.9629 15699.573 -15699.573 2370 2438.5648 -2037.0078 -2037.0078 14760.627 -14760.627 2380 2420.7931 -2034.9764 -2034.9764 15614.282 -15614.282 2390 2314.4768 -2027.0279 -2027.0279 16125.624 -16125.624 2400 2359.3582 -2028.9123 -2028.9123 15159.205 -15159.205 Loop time of 0.1238 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2400 2359.3582 -2028.9123 -2028.9123 15159.205 -15159.205 2420 2359.3582 -2213.2214 -2213.2214 12805.721 -12805.721 Loop time of 0.0455441 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.91231881 -2213.20523845 -2213.22137127 Force two-norm initial, final = 68.5631 0.564851 Force max component initial, final = 6.06292 0.0471012 Final line search alpha, max atom move = 0.0625 0.00294383 Iterations, force evaluations = 20 37 Pair time (%) = 0.214686 (471.38) Neigh time (%) = 0.0033505 (7.35659) Comm time (%) = 0.00129128 (2.83522) Outpt time (%) = 0.000741005 (1.627) Other time (%) = -0.174525 (-383.199) 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: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.26612 Mbytes Step Temp PotEng pe Press press 2400 2359.3582 -2028.9123 -2028.9123 15159.205 -15159.205 2410 2342.2827 -2026.5166 -2026.5166 15404.262 -15404.262 2420 2382.5378 -2027.7681 -2027.7681 16163.446 -16163.446 2430 2438.3767 -2029.9317 -2029.9317 15993.87 -15993.87 2440 2426.9856 -2027.6728 -2027.6728 14792.91 -14792.91 2450 2401.5475 -2024.5546 -2024.5546 15285.355 -15285.355 Loop time of 0.123728 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2450 2401.5475 -2024.5546 -2024.5546 15285.355 -15285.355 2473 2401.5475 -2213.3003 -2213.3003 13119.015 -13119.015 Loop time of 0.0517559 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2024.55457908 -2213.28937295 -2213.30033868 Force two-norm initial, final = 71.9936 0.541834 Force max component initial, final = 7.17566 0.0693126 Final line search alpha, max atom move = 0.0625 0.00433204 Iterations, force evaluations = 23 45 Pair time (%) = 0.384 (741.944) Neigh time (%) = 0.0066936 (12.933) Comm time (%) = 0.00218463 (4.22102) Outpt time (%) = 0.00108004 (2.08679) Other time (%) = -0.342202 (-661.185) 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: 14248 ave 14248 max 14248 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14248 Ave neighs/atom = 27.8826 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.26612 Mbytes Step Temp PotEng pe Press press 2450 2401.5475 -2024.5546 -2024.5546 15285.355 -15285.355 2460 2468.118 -2027.564 -2027.564 15393.761 -15393.761 2470 2479.5826 -2027.0538 -2027.0538 17035.138 -17035.138 2480 2424.6189 -2022.344 -2022.344 17053.507 -17053.507 2490 2478.0671 -2024.9216 -2024.9216 16079.338 -16079.338 2500 2448.6081 -2022.1647 -2022.1647 16920.97 -16920.97 Loop time of 0.123138 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2500 2448.6081 -2022.1647 -2022.1647 16920.97 -16920.97 2524 2448.6081 -2213.2752 -2213.2752 13426.238 -13426.238 Loop time of 0.0537319 on 1 procs for 24 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2022.16465785 -2213.25972636 -2213.2751594 Force two-norm initial, final = 70.4487 0.521154 Force max component initial, final = 6.32576 0.0610667 Final line search alpha, max atom move = 0.0535503 0.00327014 Iterations, force evaluations = 24 46 Pair time (%) = 0.554688 (1032.33) Neigh time (%) = 0.0100482 (18.7005) Comm time (%) = 0.00308013 (5.7324) Outpt time (%) = 0.00141811 (2.63924) Other time (%) = -0.515503 (-959.398) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 2500 2448.6081 -2022.1647 -2022.1647 16920.97 -16920.97 2510 2419.6839 -2019.5788 -2019.5788 17134.22 -17134.22 2520 2441.3292 -2020.4113 -2020.4113 15868.184 -15868.184 2530 2427.7202 -2018.9948 -2018.9948 13904.575 -13904.575 2540 2393.5055 -2016.2936 -2016.2936 12539.454 -12539.454 2550 2351.6029 -2013.0954 -2013.0954 14191.973 -14191.973 Loop time of 0.123727 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2550 2351.6029 -2013.0954 -2013.0954 14191.973 -14191.973 2573 2351.6029 -2213.2797 -2213.2797 12761.366 -12761.366 Loop time of 0.060132 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2013.09543797 -2213.26625594 -2213.27974746 Force two-norm initial, final = 71.6772 0.508499 Force max component initial, final = 5.7552 0.0429461 Final line search alpha, max atom move = 0.125 0.00536827 Iterations, force evaluations = 23 54 Pair time (%) = 0.732995 (1218.98) Neigh time (%) = 0.0127063 (21.1306) Comm time (%) = 0.00401187 (6.67177) Outpt time (%) = 0.00175214 (2.91382) Other time (%) = -0.691334 (-1149.69) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 2550 2351.6029 -2013.0954 -2013.0954 14191.973 -14191.973 2560 2446.7302 -2018.9319 -2018.9319 15342.039 -15342.039 2570 2449.4004 -2018.6912 -2018.6912 16626.516 -16626.516 2580 2547.468 -2024.8695 -2024.8695 14714.628 -14714.628 2590 2509.6683 -2022.2435 -2022.2435 15376.083 -15376.083 2600 2463.9026 -2019.26 -2019.26 16312.918 -16312.918 Loop time of 0.123685 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2600 2463.9026 -2019.26 -2019.26 16312.918 -16312.918 2623 2463.9026 -2213.3012 -2213.3012 13537.908 -13537.908 Loop time of 0.0592761 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2019.26001831 -2213.2825459 -2213.30120329 Force two-norm initial, final = 71.1964 0.621621 Force max component initial, final = 6.1429 0.0583863 Final line search alpha, max atom move = 0.108326 0.00632478 Iterations, force evaluations = 23 54 Pair time (%) = 0.909705 (1534.69) Neigh time (%) = 0.0160382 (27.0567) Comm time (%) = 0.00495315 (8.35606) Outpt time (%) = 0.00208139 (3.51135) Other time (%) = -0.873501 (-1473.61) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 2600 2463.9026 -2019.26 -2019.26 16312.918 -16312.918 2610 2480.416 -2020.469 -2020.469 17078.938 -17078.938 2620 2613.8435 -2029.5461 -2029.5461 15724.611 -15724.611 2630 2542.9404 -2025.4049 -2025.4049 15040.348 -15040.348 2640 2387.9624 -2015.8865 -2015.8865 14733.46 -14733.46 2650 2373.4167 -2015.6186 -2015.6186 14751.659 -14751.659 Loop time of 0.124119 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2650 2373.4167 -2015.6186 -2015.6186 14751.659 -14751.659 2673 2373.4167 -2213.3171 -2213.3171 12915.21 -12915.21 Loop time of 0.054354 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2015.61862595 -2213.30411304 -2213.31710832 Force two-norm initial, final = 71.1767 0.405312 Force max component initial, final = 5.79656 0.055302 Final line search alpha, max atom move = 0.0625 0.00345638 Iterations, force evaluations = 23 47 Pair time (%) = 1.08134 (1989.44) Neigh time (%) = 0.0200155 (36.8243) Comm time (%) = 0.00589275 (10.8414) Outpt time (%) = 0.00241542 (4.44387) Other time (%) = -1.05531 (-1941.55) 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 = 3 Dangerous builds = 0 Memory usage per processor = 6.26612 Mbytes Step Temp PotEng pe Press press 2650 2373.4167 -2015.6186 -2015.6186 14751.659 -14751.659 2660 2450.5119 -2021.4083 -2021.4083 12045.631 -12045.631 2670 2402.5212 -2019.0102 -2019.0102 11713.128 -11713.128 2680 2409.6609 -2020.2761 -2020.2761 13747.184 -13747.184 2690 2470.8905 -2025.1855 -2025.1855 14895.557 -14895.557 2700 2419.8424 -2022.7956 -2022.7956 14792.094 -14792.094 Loop time of 0.124206 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2700 2419.8424 -2022.7956 -2022.7956 14792.094 -14792.094 2723 2419.8424 -2213.2557 -2213.2557 13230.277 -13230.277 Loop time of 0.053272 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2022.79560195 -2213.23469415 -2213.25574206 Force two-norm initial, final = 69.9402 0.489319 Force max component initial, final = 7.23275 0.0613992 Final line search alpha, max atom move = 0.11057 0.00678891 Iterations, force evaluations = 23 47 Pair time (%) = 1.25336 (2352.76) Neigh time (%) = 0.0226917 (42.596) Comm time (%) = 0.0067606 (12.6907) Outpt time (%) = 0.0027473 (5.15711) Other time (%) = -1.23229 (-2313.2) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.26612 Mbytes Step Temp PotEng pe Press press 2700 2419.8424 -2022.7956 -2022.7956 14792.094 -14792.094 2710 2424.9859 -2024.1904 -2024.1904 13957.655 -13957.655 2720 2452.9126 -2027.1851 -2027.1851 14298.784 -14298.784 2730 2443.6315 -2027.852 -2027.852 15320.632 -15320.632 2740 2418.4716 -2027.5687 -2027.5687 15521.918 -15521.918 2750 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 Loop time of 0.123042 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2750 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2774 2412.7887 -2213.2921 -2213.2921 13184.173 -13184.173 Loop time of 0.047287 on 1 procs for 24 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.63923407 -2213.27737535 -2213.29205334 Force two-norm initial, final = 67.8626 0.537818 Force max component initial, final = 5.9159 0.0716169 Final line search alpha, max atom move = 0.0625 0.00447606 Iterations, force evaluations = 24 39 Pair time (%) = 1.41695 (2996.5) Neigh time (%) = 0.0266728 (56.4063) Comm time (%) = 0.00762677 (16.1287) Outpt time (%) = 0.00308418 (6.52227) Other time (%) = -1.40705 (-2975.56) 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 = 3 Dangerous builds = 0 Memory usage per processor = 6.26612 Mbytes Step Temp PotEng pe Press press 2750 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2760 2340.4685 -2025.3124 -2025.3124 12959.615 -12959.615 2770 2272.766 -2022.1638 -2022.1638 11704.18 -11704.18 2780 2205.7774 -2018.82 -2018.82 12587.813 -12587.813 2790 2272.1053 -2023.994 -2023.994 13850.448 -13850.448 2800 2367.6808 -2030.9447 -2030.9447 14161.403 -14161.403 Loop time of 0.123369 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2800 2367.6808 -2030.9447 -2030.9447 14161.403 -14161.403 2820 2367.6808 -2210.2791 -2210.2791 13363.522 -13363.522 Loop time of 0.04913 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2030.94467388 -2210.26025244 -2210.27913224 Force two-norm initial, final = 66.6779 0.825083 Force max component initial, final = 5.8678 0.110945 Final line search alpha, max atom move = 0.0431632 0.00478874 Iterations, force evaluations = 20 39 Pair time (%) = 1.58413 (3224.38) Neigh time (%) = 0.029346 (59.7313) Comm time (%) = 0.00845456 (17.2086) Outpt time (%) = 0.00341392 (6.94874) Other time (%) = -1.57622 (-3208.26) 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: 14226 ave 14226 max 14226 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14226 Ave neighs/atom = 27.8395 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.76203 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.2803 -2213.2803 -3389.767 3389.767 2810 1.2293633e-10 -2213.2803 -2213.2803 -3389.767 3389.767 2820 1.3480216e-09 -2213.2803 -2213.2803 -3389.767 3389.767 2830 6.5852325e-09 -2213.2803 -2213.2803 -3389.7667 3389.7667 2840 3.5467304e-08 -2213.2803 -2213.2803 -3389.7654 3389.7654 2850 1.4091684e-07 -2213.2804 -2213.2804 -3389.7604 3389.7604 2860 6.9594762e-07 -2213.2807 -2213.2807 -3389.7341 3389.7341 2870 3.0412185e-06 -2213.2818 -2213.2818 -3389.6264 3389.6264 2880 1.4596618e-05 -2213.287 -2213.287 -3388.9453 3388.9453 2890 3.1163323e-05 -2213.2999 -2213.2999 -3387.5726 3387.5726 2900 3.6041997e-05 -2213.3227 -2213.3227 -3384.7058 3384.7058 2910 1.8568935e-07 -2213.3239 -2213.3239 -3384.7468 3384.7468 2920 3.6920855e-06 -2213.3261 -2213.3261 -3384.5942 3384.5942 2930 9.4360846e-06 -2213.332 -2213.332 -3384.0101 3384.0101 2940 1.1710672e-08 -2213.3346 -2213.3346 -3383.7041 3383.7041 2950 6.0726996e-07 -2213.3349 -2213.3349 -3383.6743 3383.6743 2960 1.1429597e-07 -2213.3354 -2213.3354 -3383.6101 3383.6101 2970 4.5634608e-08 -2213.3355 -2213.3355 -3383.6009 3383.6009 2980 5.3141648e-07 -2213.3358 -2213.3358 -3383.5678 3383.5678 2990 1.5459803e-06 -2213.3366 -2213.3366 -3383.4724 3383.4724 3000 1.8362091e-10 -2213.3372 -2213.3372 -3383.4083 3383.4083 Loop time of 0.201281 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.28029768 -2213.33724928 -2213.33724928 Force two-norm initial, final = 0.377272 0.0128535 Force max component initial, final = 0.037084 0.000961095 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176391 (87.6344) Neigh time (%) = 0 (0) Comm time (%) = 0.0016129 (0.801318) Outpt time (%) = 0.0013361 (0.663797) Other time (%) = 0.0219407 (10.9005) 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 = 6.76203 Mbytes Step Temp PotEng pe Press press 3000 0 -2213.3372 -2213.3372 -3383.4083 3383.4083 3010 1.4269833e-13 -2213.3372 -2213.3372 -3383.4083 3383.4083 3020 1.5647392e-12 -2213.3372 -2213.3372 -3383.4083 3383.4083 3030 7.6441398e-12 -2213.3372 -2213.3372 -3383.4083 3383.4083 3040 4.1183032e-11 -2213.3372 -2213.3372 -3383.4083 3383.4083 3050 1.6369583e-10 -2213.3372 -2213.3372 -3383.4083 3383.4083 3060 8.1324471e-10 -2213.3372 -2213.3372 -3383.4082 3383.4082 3070 3.6429029e-09 -2213.3373 -2213.3373 -3383.4081 3383.4081 3080 2.3513179e-08 -2213.3373 -2213.3373 -3383.4074 3383.4074 3090 5.0934773e-08 -2213.3373 -2213.3373 -3383.4054 3383.4054 3100 1.1373396e-07 -2213.3373 -2213.3373 -3383.399 3383.399 3105 3.5240217e-09 -2213.3373 -2213.3373 -3383.3988 3383.3988 Loop time of 0.106132 on 1 procs for 105 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33724928 -2213.33734856 -2213.33734922 Force two-norm initial, final = 0.0128535 0.00683845 Force max component initial, final = 0.000961095 0.000532183 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 105 105 Pair time (%) = 0.0934894 (88.0878) Neigh time (%) = 0 (0) Comm time (%) = 0.00085187 (0.802651) Outpt time (%) = 0.000666618 (0.628103) Other time (%) = 0.0111241 (10.4814) 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 = 6.76203 Mbytes Step Temp PotEng pe Press press 1550 2332.3338 -2022.3745 -2022.3745 17051.483 -17051.483 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1550 2332.3338 -2022.3745 -2022.3745 17051.483 -17051.483 1560 2432.8567 -2029.5459 -2029.5459 15515.221 -15515.221 1570 2445.7821 -2030.9457 -2030.9457 15217.446 -15217.446 1580 2351.6223 -2025.2149 -2025.2149 15697.092 -15697.092 1590 2464.4216 -2033.0777 -2033.0777 15198.406 -15198.406 1600 2386.2043 -2028.3072 -2028.3072 16586.232 -16586.232 Loop time of 0.124684 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 1600 2386.2043 -2028.3072 -2028.3072 16586.232 -16586.232 1621 2386.2043 -2213.3006 -2213.3006 13000.257 -13000.257 Loop time of 0.049021 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.30721956 -2213.27949176 -2213.30055148 Force two-norm initial, final = 70.1572 0.56712 Force max component initial, final = 5.87302 0.0597908 Final line search alpha, max atom move = 0.0713105 0.00426371 Iterations, force evaluations = 21 42 Pair time (%) = 0.261075 (532.577) Neigh time (%) = 0.00332689 (6.78667) Comm time (%) = 0.0017333 (3.53584) Outpt time (%) = 0.000997305 (2.03444) Other time (%) = -0.218111 (-444.934) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1600 0 -2213.2368 -2213.2368 -3396.2547 3396.2547 1610 1.903962e-10 -2213.2368 -2213.2368 -3396.2547 3396.2547 1620 2.0876144e-09 -2213.2368 -2213.2368 -3396.254 3396.254 1630 1.0194107e-08 -2213.2368 -2213.2368 -3396.251 3396.251 1640 5.4814382e-08 -2213.2368 -2213.2368 -3396.2345 3396.2345 1650 2.158592e-07 -2213.2369 -2213.2369 -3396.1746 3396.1746 1660 1.0323469e-06 -2213.2374 -2213.2374 -3395.8743 3395.8743 1670 3.80974e-06 -2213.2391 -2213.2391 -3394.881 3394.881 1680 1.6457149e-05 -2213.2463 -2213.2463 -3391.3417 3391.3417 1690 5.1426729e-05 -2213.2664 -2213.2664 -3390.7619 3390.7619 1700 0.00011186626 -2213.3179 -2213.3179 -3385.9329 3385.9329 1710 1.5692813e-06 -2213.3361 -2213.3361 -3385.8059 3385.8059 1720 3.620037e-07 -2213.3366 -2213.3366 -3383.7626 3383.7626 1730 8.9550746e-07 -2213.337 -2213.337 -3383.1443 3383.1443 1740 1.6933592e-07 -2213.3373 -2213.3373 -3383.5474 3383.5474 1750 2.109086e-08 -2213.3373 -2213.3373 -3383.4057 3383.4057 1760 9.955035e-08 -2213.3373 -2213.3373 -3383.3181 3383.3181 1770 8.0436033e-09 -2213.3374 -2213.3374 -3383.2071 3383.2071 1772 2.4465942e-08 -2213.3374 -2213.3374 -3383.3258 3383.3258 Loop time of 0.16973 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.23675492 -2213.33737864 -2213.33738192 Force two-norm initial, final = 0.469509 0.00765401 Force max component initial, final = 0.0569166 0.000591365 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.153308 (90.3249) Neigh time (%) = 0 (0) Comm time (%) = 0.00136995 (0.807137) Outpt time (%) = 0.00115275 (0.679169) Other time (%) = 0.0138988 (8.1888) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1772 0 -2213.3374 -2213.3374 -3383.3258 3383.3258 1780 2.8333757e-14 -2213.3374 -2213.3374 -3383.3258 3383.3258 1790 3.5758824e-13 -2213.3374 -2213.3374 -3383.3258 3383.3258 1800 1.9858165e-12 -2213.3374 -2213.3374 -3383.3258 3383.3258 1810 1.0242626e-11 -2213.3374 -2213.3374 -3383.326 3383.326 1820 4.2987756e-11 -2213.3374 -2213.3374 -3383.3267 3383.3267 1830 1.8887766e-10 -2213.3374 -2213.3374 -3383.33 3383.33 1840 6.4068014e-10 -2213.3374 -2213.3374 -3383.3421 3383.3421 1850 1.3996876e-09 -2213.3374 -2213.3374 -3383.3833 3383.3833 1860 2.5640256e-09 -2213.3374 -2213.3374 -3383.4044 3383.4044 1870 5.6679589e-09 -2213.3374 -2213.3374 -3383.4181 3383.4181 1880 7.8768986e-10 -2213.3374 -2213.3374 -3383.4161 3383.4161 1890 1.0600335e-10 -2213.3374 -2213.3374 -3383.3914 3383.3914 1900 9.8260169e-11 -2213.3374 -2213.3374 -3383.399 3383.399 1910 2.098434e-10 -2213.3374 -2213.3374 -3383.405 3383.405 1920 6.104512e-13 -2213.3374 -2213.3374 -3383.3935 3383.3935 1930 7.5910207e-12 -2213.3374 -2213.3374 -3383.3954 3383.3954 1940 1.6410872e-11 -2213.3374 -2213.3374 -3383.3954 3383.3954 1950 4.5082819e-14 -2213.3374 -2213.3374 -3383.3945 3383.3945 1960 1.5540537e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 1970 6.3115738e-15 -2213.3374 -2213.3374 -3383.3946 3383.3946 1972 1.4476866e-14 -2213.3374 -2213.3374 -3383.3946 3383.3946 Loop time of 0.196571 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33738192 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00765401 1.17543e-05 Force max component initial, final = 0.000591365 9.52569e-07 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.177917 (90.51) Neigh time (%) = 0 (0) Comm time (%) = 0.00158095 (0.804265) Outpt time (%) = 0.00142789 (0.726398) Other time (%) = 0.0156457 (7.95933) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1600 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1610 2395.4954 -2027.8284 -2027.8284 15318.247 -15318.247 1620 2410.4867 -2029.0822 -2029.0822 14916.579 -14916.579 1630 2410.4073 -2029.2896 -2029.2896 13799.243 -13799.243 1640 2373.75 -2027.0391 -2027.0391 13445.864 -13445.864 1650 2367.6754 -2026.7338 -2026.7338 14253.354 -14253.354 Loop time of 0.123196 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1650 2367.6754 -2026.7338 -2026.7338 14253.354 -14253.354 1674 2367.6754 -2213.3239 -2213.3239 12875.176 -12875.176 Loop time of 0.0563829 on 1 procs for 24 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.73378441 -2213.31685124 -2213.32390268 Force two-norm initial, final = 69.2699 0.312392 Force max component initial, final = 7.14375 0.0388695 Final line search alpha, max atom move = 0.0625 0.00242934 Iterations, force evaluations = 24 51 Pair time (%) = 0.351251 (622.975) Neigh time (%) = 0.00333476 (5.91449) Comm time (%) = 0.00252199 (4.47297) Outpt time (%) = 0.00175905 (3.11983) Other time (%) = -0.302484 (-536.482) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 1650 0 -2213.2368 -2213.2368 -3396.2547 3396.2547 1660 1.9039636e-10 -2213.2368 -2213.2368 -3396.2547 3396.2547 1670 2.0876397e-09 -2213.2368 -2213.2368 -3396.254 3396.254 1680 1.019501e-08 -2213.2368 -2213.2368 -3396.251 3396.251 1690 5.4836787e-08 -2213.2368 -2213.2368 -3396.2345 3396.2345 1700 2.1631012e-07 -2213.2369 -2213.2369 -3396.1746 3396.1746 1710 1.0410765e-06 -2213.2374 -2213.2374 -3395.8734 3395.8734 1720 3.9776375e-06 -2213.2391 -2213.2391 -3394.8661 3394.8661 1730 1.9726636e-05 -2213.2468 -2213.2468 -3391.1907 3391.1907 1740 4.9424717e-05 -2213.2674 -2213.2674 -3390.6625 3390.6625 1750 0.00010131083 -2213.3169 -2213.3169 -3385.5927 3385.5927 1760 5.8765903e-07 -2213.3359 -2213.3359 -3382.4903 3382.4903 1770 3.0721118e-07 -2213.3363 -2213.3363 -3383.8568 3383.8568 1780 1.1126337e-06 -2213.3369 -2213.3369 -3383.8586 3383.8586 1790 5.0779858e-08 -2213.3372 -2213.3372 -3383.1953 3383.1953 1800 1.8539281e-08 -2213.3373 -2213.3373 -3383.473 3383.473 1810 9.4598749e-08 -2213.3373 -2213.3373 -3383.5575 3383.5575 1820 8.1320268e-09 -2213.3374 -2213.3374 -3383.3351 3383.3351 1821 1.0474048e-08 -2213.3374 -2213.3374 -3383.3871 3383.3871 Loop time of 0.169754 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.23675492 -2213.33735318 -2213.33735427 Force two-norm initial, final = 0.469509 0.00837425 Force max component initial, final = 0.0569166 0.00207917 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.152383 (89.7669) Neigh time (%) = 0 (0) Comm time (%) = 0.00136542 (0.804354) Outpt time (%) = 0.00114703 (0.675702) Other time (%) = 0.0148587 (8.75309) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1821 0 -2213.3374 -2213.3374 -3383.3871 3383.3871 1822 4.9115389e-16 -2213.3374 -2213.3374 -3383.3871 3383.3871 Loop time of 0.00215411 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735427 -2213.33735427 -2213.33735427 Force two-norm initial, final = 0.00837425 0.00837425 Force max component initial, final = 0.00207917 0.00207917 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186801 (86.7183) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.752629) Outpt time (%) = 0 (0) Other time (%) = 0.00026989 (12.5291) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1650 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1660 2399.0215 -2027.7867 -2027.7867 15349.838 -15349.838 1670 2414.985 -2028.8963 -2028.8963 14973.949 -14973.949 1680 2415.598 -2028.9999 -2028.9999 13861.855 -13861.855 1690 2379.4271 -2026.6832 -2026.6832 13499.579 -13499.579 1700 2372.6321 -2026.2702 -2026.2702 14300.895 -14300.895 Loop time of 0.123292 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1700 2372.6321 -2026.2702 -2026.2702 14300.895 -14300.895 1720 2372.6321 -2213.2886 -2213.2886 12900.497 -12900.497 Loop time of 0.0414021 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.27016518 -2213.27096503 -2213.28864614 Force two-norm initial, final = 69.3408 0.451586 Force max component initial, final = 7.15351 0.0517507 Final line search alpha, max atom move = 0.0625 0.00323442 Iterations, force evaluations = 20 34 Pair time (%) = 0.160619 (387.95) Neigh time (%) = 0.00333619 (8.05802) Comm time (%) = 0.00082612 (1.99536) Outpt time (%) = 0.000329733 (0.796416) Other time (%) = -0.123709 (-298.799) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.2368 -2213.2368 -3396.2547 3396.2547 1710 1.9039631e-10 -2213.2368 -2213.2368 -3396.2547 3396.2547 1720 2.0876326e-09 -2213.2368 -2213.2368 -3396.254 3396.254 1730 1.0194757e-08 -2213.2368 -2213.2368 -3396.251 3396.251 1740 5.4830491e-08 -2213.2368 -2213.2368 -3396.2345 3396.2345 1750 2.1618289e-07 -2213.2369 -2213.2369 -3396.1746 3396.1746 1760 1.0385676e-06 -2213.2374 -2213.2374 -3395.8736 3395.8736 1770 3.9254435e-06 -2213.2391 -2213.2391 -3394.8706 3394.8706 1780 1.8325122e-05 -2213.2466 -2213.2466 -3391.2442 3391.2442 1790 4.9838004e-05 -2213.2669 -2213.2669 -3390.6981 3390.6981 1800 0.00011285097 -2213.3181 -2213.3181 -3385.9871 3385.9871 1810 8.1872924e-07 -2213.3358 -2213.3358 -3382.9198 3382.9198 1820 2.9812713e-07 -2213.3361 -2213.3361 -3384.0801 3384.0801 1830 1.0603178e-06 -2213.3367 -2213.3367 -3383.7592 3383.7592 1840 5.0459013e-08 -2213.3372 -2213.3372 -3382.6938 3382.6938 1850 1.715067e-08 -2213.3372 -2213.3372 -3383.6069 3383.6069 1860 1.0846694e-07 -2213.3373 -2213.3373 -3383.5056 3383.5056 1870 1.5983957e-07 -2213.3374 -2213.3374 -3383.6626 3383.6626 1874 7.6586338e-09 -2213.3374 -2213.3374 -3383.4412 3383.4412 Loop time of 0.173376 on 1 procs for 174 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.23675492 -2213.33736535 -2213.33736644 Force two-norm initial, final = 0.469509 0.00587338 Force max component initial, final = 0.0569166 0.000589953 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.155107 (89.463) Neigh time (%) = 0 (0) Comm time (%) = 0.00140166 (0.808453) Outpt time (%) = 0.00114632 (0.661174) Other time (%) = 0.0157206 (9.06736) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 1874 0 -2213.3374 -2213.3374 -3383.4412 3383.4412 1875 2.4160288e-16 -2213.3374 -2213.3374 -3383.4412 3383.4412 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 = -2213.33736644 -2213.33736644 -2213.33736644 Force two-norm initial, final = 0.00587338 0.00587338 Force max component initial, final = 0.000589953 0.000589953 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187778 (87.8332) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.747184) Outpt time (%) = 0 (0) Other time (%) = 0.000244141 (11.4196) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 1600 2386.2043 -2028.3072 -2028.3072 16586.232 -16586.232 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1600 2386.2043 -2028.3072 -2028.3072 16586.232 -16586.232 1610 2288.1726 -2021.8028 -2021.8028 16400.991 -16400.991 1620 2434.8559 -2031.3584 -2031.3584 16028.052 -16028.052 1630 2456.8598 -2032.6971 -2032.6971 16847.851 -16847.851 1640 2408.0776 -2029.4432 -2029.4432 16811.757 -16811.757 1650 2397.4322 -2028.7201 -2028.7201 15469.927 -15469.927 Loop time of 0.124112 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 1650 2397.4322 -2028.7201 -2028.7201 15469.927 -15469.927 1671 2397.4322 -2213.2904 -2213.2904 13081.727 -13081.727 Loop time of 0.052758 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.72013166 -2213.27480133 -2213.29035342 Force two-norm initial, final = 70.9326 0.613581 Force max component initial, final = 7.23444 0.0647895 Final line search alpha, max atom move = 0.0625 0.00404934 Iterations, force evaluations = 21 45 Pair time (%) = 0.172591 (327.138) Neigh time (%) = 0.00335598 (6.36109) Comm time (%) = 0.000907183 (1.71952) Outpt time (%) = 0.000334024 (0.633126) Other time (%) = -0.124431 (-235.852) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1650 0 -2213.3006 -2213.3006 -3388.355 3388.355 1660 2.7779207e-10 -2213.3006 -2213.3006 -3388.355 3388.355 1670 3.0458308e-09 -2213.3006 -2213.3006 -3388.3548 3388.3548 1680 1.4872375e-08 -2213.3006 -2213.3006 -3388.3542 3388.3542 1690 7.9942982e-08 -2213.3006 -2213.3006 -3388.351 3388.351 1700 3.14469e-07 -2213.3007 -2213.3007 -3388.339 3388.339 1710 1.4945056e-06 -2213.3015 -2213.3015 -3388.2766 3388.2766 1720 5.4023854e-06 -2213.3038 -2213.3038 -3388.0375 3388.0375 1730 2.0177025e-05 -2213.3117 -2213.3117 -3386.6174 3386.6174 1740 2.2596202e-05 -2213.3208 -2213.3208 -3384.5959 3384.5959 1750 2.1579574e-05 -2213.3311 -2213.3311 -3382.7545 3382.7545 1760 2.4416637e-06 -2213.3353 -2213.3353 -3383.944 3383.944 1770 5.0993634e-07 -2213.3359 -2213.3359 -3383.2452 3383.2452 1780 1.2743725e-06 -2213.3366 -2213.3366 -3383.5472 3383.5472 1790 8.1089085e-08 -2213.3371 -2213.3371 -3383.5967 3383.5967 1800 2.817385e-08 -2213.3371 -2213.3371 -3383.3971 3383.3971 1810 1.5247229e-07 -2213.3372 -2213.3372 -3383.4062 3383.4062 1820 2.2278323e-07 -2213.3373 -2213.3373 -3383.3295 3383.3295 1830 3.7407688e-09 -2213.3374 -2213.3374 -3383.4006 3383.4006 1832 6.1944792e-09 -2213.3374 -2213.3374 -3383.3945 3383.3945 Loop time of 0.180798 on 1 procs for 182 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30055148 -2213.33735555 -2213.3373562 Force two-norm initial, final = 0.56712 0.00789048 Force max component initial, final = 0.0597908 0.000615123 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 182 182 Pair time (%) = 0.1623 (89.7686) Neigh time (%) = 0 (0) Comm time (%) = 0.00143409 (0.7932) Outpt time (%) = 0.0012207 (0.675176) Other time (%) = 0.0158434 (8.76304) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1832 0 -2213.3374 -2213.3374 -3383.3945 3383.3945 1833 4.360467e-16 -2213.3374 -2213.3374 -3383.3945 3383.3945 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 = -2213.3373562 -2213.3373562 -2213.3373562 Force two-norm initial, final = 0.00789048 0.00789048 Force max component initial, final = 0.000615123 0.000615123 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186896 (87.294) Neigh time (%) = 0 (0) Comm time (%) = 2.02656e-05 (0.946548) Outpt time (%) = 0 (0) Other time (%) = 0.00025177 (11.7595) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1650 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1660 2399.9675 -2027.7756 -2027.7756 15358.286 -15358.286 1670 2416.2601 -2028.8461 -2028.8461 14989.876 -14989.876 1680 2417.1559 -2028.9183 -2028.9183 13880.357 -13880.357 1690 2381.2028 -2026.5778 -2026.5778 13516.917 -13516.917 1700 2374.304 -2026.1293 -2026.1293 14317.592 -14317.592 Loop time of 0.123481 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1700 2374.304 -2026.1293 -2026.1293 14317.592 -14317.592 1720 2374.304 -2213.2885 -2213.2885 12913.252 -12913.252 Loop time of 0.0414131 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.12933444 -2213.26813047 -2213.28850602 Force two-norm initial, final = 69.3636 0.461337 Force max component initial, final = 7.15659 0.0845325 Final line search alpha, max atom move = 0.0525704 0.00444391 Iterations, force evaluations = 20 34 Pair time (%) = 0.160813 (388.315) Neigh time (%) = 0.00332761 (8.03516) Comm time (%) = 0.000819683 (1.97929) Outpt time (%) = 0.000333071 (0.804265) Other time (%) = -0.123881 (-299.134) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.3006 -2213.3006 -3388.355 3388.355 1710 2.7779202e-10 -2213.3006 -2213.3006 -3388.355 3388.355 1720 3.0458228e-09 -2213.3006 -2213.3006 -3388.3548 3388.3548 1730 1.4872089e-08 -2213.3006 -2213.3006 -3388.3542 3388.3542 1740 7.9935903e-08 -2213.3006 -2213.3006 -3388.351 3388.351 1750 3.1432659e-07 -2213.3007 -2213.3007 -3388.339 3388.339 1760 1.4917548e-06 -2213.3015 -2213.3015 -3388.2766 3388.2766 1770 5.3498097e-06 -2213.3038 -2213.3038 -3388.0384 3388.0384 1780 1.919461e-05 -2213.3115 -2213.3115 -3386.6434 3386.6434 1790 2.3599656e-05 -2213.3208 -2213.3208 -3384.6496 3384.6496 1800 2.3196535e-05 -2213.3314 -2213.3314 -3382.7678 3382.7678 1810 2.4643348e-06 -2213.3348 -2213.3348 -3383.3078 3383.3078 1820 8.1931074e-07 -2213.3353 -2213.3353 -3383.5544 3383.5544 1830 2.2850573e-06 -2213.3364 -2213.3364 -3383.2655 3383.2655 1840 1.6674163e-07 -2213.3369 -2213.3369 -3383.5464 3383.5464 1850 5.1142061e-08 -2213.337 -2213.337 -3383.4639 3383.4639 1860 3.6080382e-07 -2213.3372 -2213.3372 -3383.4022 3383.4022 1870 3.7056281e-07 -2213.3374 -2213.3374 -3383.2202 3383.2202 1880 2.0851717e-09 -2213.3374 -2213.3374 -3383.4057 3383.4057 1881 2.6884154e-09 -2213.3374 -2213.3374 -3383.3956 3383.3956 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 = -2213.30055148 -2213.3373868 -2213.33738706 Force two-norm initial, final = 0.56712 0.00354784 Force max component initial, final = 0.0597908 0.000378404 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.161204 (89.5581) Neigh time (%) = 0 (0) Comm time (%) = 0.00143933 (0.799633) Outpt time (%) = 0.00120306 (0.66837) Other time (%) = 0.0161529 (8.97385) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1881 0 -2213.3374 -2213.3374 -3383.3956 3383.3956 1882 8.8156415e-17 -2213.3374 -2213.3374 -3383.3956 3383.3956 Loop time of 0.00213408 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738706 -2213.33738706 -2213.33738706 Force two-norm initial, final = 0.00354784 0.00354784 Force max component initial, final = 0.000378404 0.000378404 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187516 (87.8673) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.74852) Outpt time (%) = 0 (0) Other time (%) = 0.000242949 (11.3842) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1700 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1710 2399.896 -2027.7764 -2027.7764 15357.653 -15357.653 1720 2416.1542 -2028.85 -2028.85 14988.598 -14988.598 1730 2417.0105 -2028.925 -2028.925 13878.685 -13878.685 1740 2381.0051 -2026.5875 -2026.5875 13514.949 -13514.949 1750 2374.069 -2026.144 -2026.144 14315.122 -14315.122 Loop time of 0.12291 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1750 2374.069 -2026.144 -2026.144 14315.122 -14315.122 1770 2374.069 -2213.2882 -2213.2882 12910.695 -12910.695 Loop time of 0.041626 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.14395868 -2213.26805179 -2213.28822947 Force two-norm initial, final = 69.3609 0.453321 Force max component initial, final = 7.15623 0.0773247 Final line search alpha, max atom move = 0.0539685 0.0041731 Iterations, force evaluations = 20 34 Pair time (%) = 0.160465 (385.491) Neigh time (%) = 0.00332785 (7.99464) Comm time (%) = 0.000820875 (1.97203) Outpt time (%) = 0.000328779 (0.789841) Other time (%) = -0.123316 (-296.248) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 1750 0 -2213.3006 -2213.3006 -3388.355 3388.355 1760 2.7779202e-10 -2213.3006 -2213.3006 -3388.355 3388.355 1770 3.0458229e-09 -2213.3006 -2213.3006 -3388.3548 3388.3548 1780 1.4872092e-08 -2213.3006 -2213.3006 -3388.3542 3388.3542 1790 7.9935973e-08 -2213.3006 -2213.3006 -3388.351 3388.351 1800 3.1432795e-07 -2213.3007 -2213.3007 -3388.339 3388.339 1810 1.491777e-06 -2213.3015 -2213.3015 -3388.2766 3388.2766 1820 5.3499076e-06 -2213.3038 -2213.3038 -3388.0384 3388.0384 1830 1.9161704e-05 -2213.3115 -2213.3115 -3386.6439 3386.6439 1840 2.3583288e-05 -2213.3208 -2213.3208 -3384.6523 3384.6523 1850 2.3273759e-05 -2213.3314 -2213.3314 -3382.7659 3382.7659 1860 1.8049904e-06 -2213.3356 -2213.3356 -3382.8249 3382.8249 1870 4.7725775e-07 -2213.3367 -2213.3367 -3383.4148 3383.4148 1880 7.5354839e-07 -2213.3371 -2213.3371 -3383.2496 3383.2496 1890 2.7061835e-08 -2213.3373 -2213.3373 -3383.5822 3383.5822 1900 7.424164e-09 -2213.3374 -2213.3374 -3383.3644 3383.3644 1910 3.6991309e-08 -2213.3374 -2213.3374 -3383.3746 3383.3746 1920 1.9974737e-09 -2213.3374 -2213.3374 -3383.4325 3383.4325 1922 3.5271325e-09 -2213.3374 -2213.3374 -3383.3996 3383.3996 Loop time of 0.176229 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30055148 -2213.33737979 -2213.33738013 Force two-norm initial, final = 0.56712 0.00441086 Force max component initial, final = 0.0597908 0.000399661 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.154103 (87.4448) Neigh time (%) = 0 (0) Comm time (%) = 0.00139165 (0.789682) Outpt time (%) = 0.00115895 (0.65764) Other time (%) = 0.0195754 (11.1079) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 1922 0 -2213.3374 -2213.3374 -3383.3996 3383.3996 1923 1.3626153e-16 -2213.3374 -2213.3374 -3383.3996 3383.3996 Loop time of 0.00220299 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738013 -2213.33738013 -2213.33738013 Force two-norm initial, final = 0.00441086 0.00441086 Force max component initial, final = 0.000399661 0.000399661 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00189519 (86.0281) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.779221) Outpt time (%) = 0 (0) Other time (%) = 0.000290632 (13.1926) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 1750 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1760 2399.7949 -2027.7775 -2027.7775 15356.763 -15356.763 1770 2415.9957 -2028.8554 -2028.8554 14986.723 -14986.723 1780 2416.786 -2028.935 -2028.935 13876.121 -13876.121 1790 2380.6969 -2026.6024 -2026.6024 13511.832 -13511.832 1800 2373.6947 -2026.1665 -2026.1665 14311.164 -14311.164 Loop time of 0.12385 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 1800 2373.6947 -2026.1665 -2026.1665 14311.164 -14311.164 1820 2373.6947 -2213.2882 -2213.2882 12907.171 -12907.171 Loop time of 0.0416481 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.16652951 -2213.26825358 -2213.28819682 Force two-norm initial, final = 69.3565 0.451708 Force max component initial, final = 7.15566 0.0699404 Final line search alpha, max atom move = 0.0559213 0.00391116 Iterations, force evaluations = 20 34 Pair time (%) = 0.161416 (387.571) Neigh time (%) = 0.00333071 (7.99725) Comm time (%) = 0.000823259 (1.9767) Outpt time (%) = 0.000341415 (0.819761) Other time (%) = -0.124264 (-298.365) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.26612 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.3006 -2213.3006 -3388.355 3388.355 1810 2.7779202e-10 -2213.3006 -2213.3006 -3388.355 3388.355 1820 3.0458232e-09 -2213.3006 -2213.3006 -3388.3548 3388.3548 1830 1.4872103e-08 -2213.3006 -2213.3006 -3388.3542 3388.3542 1840 7.9936251e-08 -2213.3006 -2213.3006 -3388.351 3388.351 1850 3.1433349e-07 -2213.3007 -2213.3007 -3388.339 3388.339 1860 1.4918798e-06 -2213.3015 -2213.3015 -3388.2766 3388.2766 1870 5.3515352e-06 -2213.3038 -2213.3038 -3388.0384 3388.0384 1880 1.9157705e-05 -2213.3115 -2213.3115 -3386.6436 3386.6436 1890 2.3551938e-05 -2213.3208 -2213.3208 -3384.6534 3384.6534 1900 2.3301436e-05 -2213.3314 -2213.3314 -3382.7626 3382.7626 1910 2.4747535e-06 -2213.3348 -2213.3348 -3383.3011 3383.3011 1920 8.225062e-07 -2213.3353 -2213.3353 -3383.5537 3383.5537 1930 2.283503e-06 -2213.3364 -2213.3364 -3383.263 3383.263 1940 1.6849902e-07 -2213.3369 -2213.3369 -3383.5465 3383.5465 1950 5.1228876e-08 -2213.337 -2213.337 -3383.4635 3383.4635 1960 3.593176e-07 -2213.3372 -2213.3372 -3383.4021 3383.4021 1970 3.650815e-07 -2213.3374 -2213.3374 -3383.2153 3383.2153 1980 2.0546335e-09 -2213.3374 -2213.3374 -3383.4077 3383.4077 1981 2.6569368e-09 -2213.3374 -2213.3374 -3383.3963 3383.3963 Loop time of 0.18622 on 1 procs for 181 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30055148 -2213.33738671 -2213.33738698 Force two-norm initial, final = 0.56712 0.00356388 Force max component initial, final = 0.0597908 0.000367145 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.16214 (87.0689) Neigh time (%) = 0 (0) Comm time (%) = 0.00146723 (0.787901) Outpt time (%) = 0.00122023 (0.655261) Other time (%) = 0.0213928 (11.4879) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 1981 0 -2213.3374 -2213.3374 -3383.3963 3383.3963 1982 8.8955349e-17 -2213.3374 -2213.3374 -3383.3963 3383.3963 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 = -2213.33738698 -2213.33738698 -2213.33738698 Force two-norm initial, final = 0.00356388 0.00356388 Force max component initial, final = 0.000367145 0.000367145 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187325 (87.6213) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.747184) Outpt time (%) = 0 (0) Other time (%) = 0.000248671 (11.6315) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 1800 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1810 2399.6196 -2027.7794 -2027.7794 15355.224 -15355.224 1820 2415.7099 -2028.865 -2028.865 14983.386 -14983.386 1830 2416.3718 -2028.953 -2028.953 13871.412 -13871.412 1840 2380.1274 -2026.6298 -2026.6298 13506.012 -13506.012 1850 2373.0006 -2026.208 -2026.208 14303.784 -14303.784 Loop time of 0.123418 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 1850 2373.0006 -2026.208 -2026.208 14303.784 -14303.784 1870 2373.0006 -2213.2899 -2213.2899 12901.991 -12901.991 Loop time of 0.0414431 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.20796033 -2213.26990117 -2213.28985688 Force two-norm initial, final = 69.3484 0.466853 Force max component initial, final = 7.15462 0.0685554 Final line search alpha, max atom move = 0.0596778 0.00409124 Iterations, force evaluations = 20 34 Pair time (%) = 0.160806 (388.016) Neigh time (%) = 0.00332999 (8.03509) Comm time (%) = 0.000821829 (1.98303) Outpt time (%) = 0.000332117 (0.801381) Other time (%) = -0.123847 (-298.835) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.76203 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.3006 -2213.3006 -3388.355 3388.355 1860 2.7779203e-10 -2213.3006 -2213.3006 -3388.355 3388.355 1870 3.0458244e-09 -2213.3006 -2213.3006 -3388.3548 3388.3548 1880 1.4872144e-08 -2213.3006 -2213.3006 -3388.3542 3388.3542 1890 7.9937262e-08 -2213.3006 -2213.3006 -3388.351 3388.351 1900 3.1435381e-07 -2213.3007 -2213.3007 -3388.339 3388.339 1910 1.4922696e-06 -2213.3015 -2213.3015 -3388.2766 3388.2766 1920 5.3587761e-06 -2213.3038 -2213.3038 -3388.0383 3388.0383 1930 1.9275915e-05 -2213.3116 -2213.3116 -3386.6403 3386.6403 1940 2.3467365e-05 -2213.3208 -2213.3208 -3384.6476 3384.6476 1950 2.3125469e-05 -2213.3313 -2213.3313 -3382.7558 3382.7558 1960 2.488443e-06 -2213.3348 -2213.3348 -3383.322 3383.322 1970 8.317764e-07 -2213.3353 -2213.3353 -3383.5536 3383.5536 1980 2.2829578e-06 -2213.3364 -2213.3364 -3383.2734 3383.2734 1990 1.7021549e-07 -2213.3369 -2213.3369 -3383.5449 3383.5449 2000 5.2200061e-08 -2213.337 -2213.337 -3383.4643 3383.4643 2010 3.6301312e-07 -2213.3372 -2213.3372 -3383.4072 3383.4072 2020 3.619141e-07 -2213.3374 -2213.3374 -3383.2036 3383.2036 2030 2.1468783e-09 -2213.3374 -2213.3374 -3383.4147 3383.4147 2031 2.7717767e-09 -2213.3374 -2213.3374 -3383.3987 3383.3987 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 = -2213.30055148 -2213.33738646 -2213.33738672 Force two-norm initial, final = 0.56712 0.00360642 Force max component initial, final = 0.0597908 0.000339429 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.161444 (89.5994) Neigh time (%) = 0 (0) Comm time (%) = 0.00145483 (0.807414) Outpt time (%) = 0.00124145 (0.688988) Other time (%) = 0.0160439 (8.90418) 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 = 6.76203 Mbytes Step Temp PotEng pe Press press 2031 0 -2213.3374 -2213.3374 -3383.3987 3383.3987 2032 9.1091801e-17 -2213.3374 -2213.3374 -3383.3987 3383.3987 Loop time of 0.00213695 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738672 -2213.33738672 -2213.33738672 Force two-norm initial, final = 0.00360642 0.00360642 Force max component initial, final = 0.000339429 0.000339429 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187302 (87.6492) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.792145) Outpt time (%) = 0 (0) Other time (%) = 0.000247002 (11.5586) 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 = 6.76203 Mbytes Step Temp PotEng pe Press press 1850 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1860 2399.2841 -2027.783 -2027.783 15352.286 -15352.286 1870 2415.1538 -2028.8832 -2028.8832 14976.929 -14976.929 1880 2415.5645 -2028.9879 -2028.9879 13862.227 -13862.227 1890 2379.0342 -2026.6829 -2026.6829 13494.765 -13494.765 1900 2371.6944 -2026.2876 -2026.2876 14289.867 -14289.867 Loop time of 0.123024 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 7.44867 Mbytes Step Temp PotEng pe Press press 1900 2371.6944 -2026.2876 -2026.2876 14289.867 -14289.867 1920 2371.6944 -2213.2887 -2213.2887 12894.143 -12894.143 Loop time of 0.0413711 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.28756362 -2213.27090949 -2213.28870784 Force two-norm initial, final = 69.3331 0.455311 Force max component initial, final = 7.15262 0.0524376 Final line search alpha, max atom move = 0.0625 0.00327735 Iterations, force evaluations = 20 34 Pair time (%) = 0.160336 (387.555) Neigh time (%) = 0.00333691 (8.06579) Comm time (%) = 0.000819206 (1.98014) Outpt time (%) = 0.00033474 (0.809115) Other time (%) = -0.123456 (-298.41) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 7.25794 Mbytes Step Temp PotEng pe Press press 1900 0 -2213.3006 -2213.3006 -3388.355 3388.355 1910 2.7779203e-10 -2213.3006 -2213.3006 -3388.355 3388.355 1920 3.0458249e-09 -2213.3006 -2213.3006 -3388.3548 3388.3548 1930 1.4872165e-08 -2213.3006 -2213.3006 -3388.3542 3388.3542 1940 7.9937773e-08 -2213.3006 -2213.3006 -3388.351 3388.351 1950 3.143639e-07 -2213.3007 -2213.3007 -3388.339 3388.339 1960 1.4924492e-06 -2213.3015 -2213.3015 -3388.2766 3388.2766 1970 5.3609502e-06 -2213.3038 -2213.3038 -3388.0382 3388.0382 1980 1.9180419e-05 -2213.3116 -2213.3116 -3386.6413 3386.6413 1990 2.3312055e-05 -2213.3208 -2213.3208 -3384.6547 3384.6547 2000 2.3533682e-05 -2213.3314 -2213.3314 -3382.7545 3382.7545 2010 2.4984304e-06 -2213.3348 -2213.3348 -3383.3033 3383.3033 2020 8.3068681e-07 -2213.3353 -2213.3353 -3383.5524 3383.5524 2030 2.2896648e-06 -2213.3364 -2213.3364 -3383.2637 3383.2637 2040 9.1599628e-08 -2213.3369 -2213.3369 -3383.4772 3383.4772 2050 3.4488024e-07 -2213.3371 -2213.3371 -3383.405 3383.405 2060 4.4869059e-08 -2213.3372 -2213.3372 -3383.3542 3383.3542 2070 2.3238329e-08 -2213.3372 -2213.3372 -3383.4185 3383.4185 2080 1.2111773e-07 -2213.3373 -2213.3373 -3383.3845 3383.3845 2087 8.141776e-09 -2213.3373 -2213.3373 -3383.3989 3383.3989 Loop time of 0.185695 on 1 procs for 187 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30055148 -2213.33734159 -2213.33734264 Force two-norm initial, final = 0.56712 0.00759636 Force max component initial, final = 0.0597908 0.000528573 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 187 187 Pair time (%) = 0.166348 (89.5816) Neigh time (%) = 0 (0) Comm time (%) = 0.00148821 (0.801427) Outpt time (%) = 0.00119901 (0.645686) Other time (%) = 0.0166593 (8.97131) 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 = 7.25794 Mbytes Step Temp PotEng pe Press press 2087 0 -2213.3373 -2213.3373 -3383.3989 3383.3989 2088 4.0414471e-16 -2213.3373 -2213.3373 -3383.3989 3383.3989 Loop time of 0.00213695 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734264 -2213.33734264 -2213.33734264 Force two-norm initial, final = 0.00759636 0.00759636 Force max component initial, final = 0.000528573 0.000528573 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187182 (87.5934) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.70289) Outpt time (%) = 0 (0) Other time (%) = 0.000250101 (11.7037) 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 = 7.25794 Mbytes Step Temp PotEng pe Press press 1650 2397.4322 -2028.7201 -2028.7201 15469.927 -15469.927 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1650 2397.4322 -2028.7201 -2028.7201 15469.927 -15469.927 1660 2435.8345 -2031.3311 -2031.3311 15120.062 -15120.062 1670 2508.6175 -2036.3029 -2036.3029 16754.028 -16754.028 1680 2346.8048 -2025.8983 -2025.8983 19003.9 -19003.9 1690 2343.0934 -2025.9262 -2025.9262 16260.415 -16260.415 1700 2424.1493 -2031.5111 -2031.5111 14013.702 -14013.702 Loop time of 0.123198 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 1700 2424.1493 -2031.5111 -2031.5111 14013.702 -14013.702 1723 2424.1493 -2213.3083 -2213.3083 13265.188 -13265.188 Loop time of 0.0558059 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2031.51107618 -2213.29433404 -2213.3082919 Force two-norm initial, final = 68.5738 0.426782 Force max component initial, final = 6.05572 0.0429426 Final line search alpha, max atom move = 0.0625 0.00268391 Iterations, force evaluations = 23 50 Pair time (%) = 0.175322 (314.164) Neigh time (%) = 0.00267696 (4.79692) Comm time (%) = 0.000930786 (1.6679) Outpt time (%) = 0.000341654 (0.612218) Other time (%) = -0.123466 (-221.241) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.2904 -2213.2904 -3383.9979 3383.9979 1710 3.2517147e-10 -2213.2904 -2213.2904 -3383.9979 3383.9979 1720 3.5652101e-09 -2213.2904 -2213.2904 -3383.9984 3383.9984 1730 1.7405654e-08 -2213.2904 -2213.2904 -3384.0002 3384.0002 1740 9.3486254e-08 -2213.2904 -2213.2904 -3384.0102 3384.0102 1750 3.665173e-07 -2213.2906 -2213.2906 -3384.0463 3384.0463 1760 1.7157608e-06 -2213.2914 -2213.2914 -3384.2238 3384.2238 1770 5.8103616e-06 -2213.2939 -2213.2939 -3384.7653 3384.7653 1780 1.5604001e-05 -2213.3005 -2213.3005 -3386.0117 3386.0117 1790 2.4845521e-05 -2213.3101 -2213.3101 -3384.9916 3384.9916 1800 4.5050615e-05 -2213.3301 -2213.3301 -3384.0371 3384.0371 1810 2.3572655e-06 -2213.3354 -2213.3354 -3383.5101 3383.5101 1820 4.3724118e-07 -2213.3356 -2213.3356 -3383.7318 3383.7318 1830 1.251696e-06 -2213.3362 -2213.3362 -3383.4918 3383.4918 1840 6.4861587e-08 -2213.3371 -2213.3371 -3383.1778 3383.1778 1850 3.5959317e-08 -2213.3372 -2213.3372 -3383.5031 3383.5031 1860 1.5772592e-07 -2213.3372 -2213.3372 -3383.4224 3383.4224 1870 6.0679987e-09 -2213.3373 -2213.3373 -3383.2167 3383.2167 1880 2.5748411e-09 -2213.3374 -2213.3374 -3383.4086 3383.4086 1882 4.2770147e-09 -2213.3374 -2213.3374 -3383.4018 3383.4018 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 = -2213.29035342 -2213.33735638 -2213.33735678 Force two-norm initial, final = 0.613581 0.00635025 Force max component initial, final = 0.0647895 0.000455221 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 182 182 Pair time (%) = 0.161998 (90.6513) Neigh time (%) = 0 (0) Comm time (%) = 0.00144815 (0.810365) Outpt time (%) = 0.00121522 (0.680018) Other time (%) = 0.0140431 (7.8583) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1882 0 -2213.3374 -2213.3374 -3383.4018 3383.4018 1883 2.8242783e-16 -2213.3374 -2213.3374 -3383.4018 3383.4018 Loop time of 0.00212908 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735678 -2213.33735678 -2213.33735678 Force two-norm initial, final = 0.00635025 0.00635025 Force max component initial, final = 0.000455221 0.000455221 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018611 (87.4132) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.851064) Outpt time (%) = 0 (0) Other time (%) = 0.000249863 (11.7357) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1700 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1710 2396.2597 -2027.8157 -2027.8157 15325.732 -15325.732 1720 2410.2819 -2029.0474 -2029.0474 14919.825 -14919.825 1730 2408.7056 -2029.2942 -2029.2942 13783.554 -13783.554 1740 2370.0562 -2027.1357 -2027.1357 13402.701 -13402.701 1750 2361.4214 -2026.9494 -2026.9494 14181.103 -14181.103 Loop time of 0.123186 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1750 2361.4214 -2026.9494 -2026.9494 14181.103 -14181.103 1774 2361.4214 -2213.3267 -2213.3267 12833.718 -12833.718 Loop time of 0.0581269 on 1 procs for 24 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.94940438 -2213.32004972 -2213.32670816 Force two-norm initial, final = 69.2087 0.250461 Force max component initial, final = 7.13638 0.0268979 Final line search alpha, max atom move = 0.0625 0.00168112 Iterations, force evaluations = 24 52 Pair time (%) = 0.176839 (304.229) Neigh time (%) = 0.00334334 (5.7518) Comm time (%) = 0.000979662 (1.68538) Outpt time (%) = 0.000332117 (0.571365) Other time (%) = -0.123367 (-212.238) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 1750 0 -2213.2904 -2213.2904 -3383.9979 3383.9979 1760 3.2517161e-10 -2213.2904 -2213.2904 -3383.9979 3383.9979 1770 3.5652315e-09 -2213.2904 -2213.2904 -3383.9984 3383.9984 1780 1.7406421e-08 -2213.2904 -2213.2904 -3384.0002 3384.0002 1790 9.3505179e-08 -2213.2904 -2213.2904 -3384.0102 3384.0102 1800 3.6689135e-07 -2213.2906 -2213.2906 -3384.0463 3384.0463 1810 1.7224115e-06 -2213.2914 -2213.2914 -3384.224 3384.224 1820 5.9021333e-06 -2213.2939 -2213.2939 -3384.7683 3384.7683 1830 1.6375967e-05 -2213.3006 -2213.3006 -3386.0171 3386.0171 1840 3.2257874e-05 -2213.3112 -2213.3112 -3384.8397 3384.8397 1850 6.400225e-07 -2213.3234 -2213.3234 -3384.9071 3384.9071 1860 6.3977604e-06 -2213.3265 -2213.3265 -3384.1487 3384.1487 1870 3.1764476e-07 -2213.333 -2213.333 -3383.596 3383.596 1880 7.7525194e-09 -2213.3344 -2213.3344 -3383.4017 3383.4017 1890 9.8796371e-07 -2213.3349 -2213.3349 -3383.7973 3383.7973 1900 4.8705363e-09 -2213.3362 -2213.3362 -3383.6269 3383.6269 1910 4.5653676e-07 -2213.3365 -2213.3365 -3383.4338 3383.4338 1920 1.7000325e-08 -2213.3369 -2213.3369 -3383.3627 3383.3627 1930 9.1757955e-09 -2213.337 -2213.337 -3383.4959 3383.4959 1940 1.186007e-07 -2213.337 -2213.337 -3383.3896 3383.3896 1950 3.7910206e-07 -2213.3373 -2213.3373 -3383.3114 3383.3114 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 = -2213.29035342 -2213.33724022 -2213.33727318 Force two-norm initial, final = 0.613581 0.0199483 Force max component initial, final = 0.0647895 0.00134318 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.178308 (89.5383) Neigh time (%) = 0 (0) Comm time (%) = 0.00162721 (0.817109) Outpt time (%) = 0.00136232 (0.684097) Other time (%) = 0.0178442 (8.96054) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.3373 -2213.3373 -3383.3114 3383.3114 1960 3.4370054e-13 -2213.3373 -2213.3373 -3383.3114 3383.3114 1970 3.7683779e-12 -2213.3373 -2213.3373 -3383.3115 3383.3115 1980 1.8398331e-11 -2213.3373 -2213.3373 -3383.3115 3383.3115 1990 9.8831145e-11 -2213.3373 -2213.3373 -3383.3119 3383.3119 2000 3.8787623e-10 -2213.3373 -2213.3373 -3383.3133 3383.3133 2010 1.8220819e-09 -2213.3373 -2213.3373 -3383.3205 3383.3205 2020 6.4062497e-09 -2213.3373 -2213.3373 -3383.3444 3383.3444 2030 2.6296367e-08 -2213.3373 -2213.3373 -3383.4267 3383.4267 2040 3.8365776e-08 -2213.3373 -2213.3373 -3383.404 3383.404 2050 7.8702957e-08 -2213.3374 -2213.3374 -3383.4566 3383.4566 2060 1.4920409e-07 -2213.3374 -2213.3374 -3383.4139 3383.4139 2070 0.00038666788 -2213.0623 -2213.0623 -3365.4972 3365.4972 2080 0.00014209649 -2213.3368 -2213.3368 -3382.0901 3382.0901 2090 5.2063245e-06 -2213.3371 -2213.3371 -3383.9057 3383.9057 2100 2.8638877e-06 -2213.3373 -2213.3373 -3383.0253 3383.0253 2110 8.208872e-06 -2213.3363 -2213.3363 -3381.7337 3381.7337 2120 5.2418081e-05 -2213.3373 -2213.3373 -3383.4472 3383.4472 2130 7.1060941e-06 -2213.3362 -2213.3362 -3382.6248 3382.6248 2140 2.1188082e-07 -2213.3332 -2213.3332 -3384.0886 3384.0886 2150 5.3821548e-05 -2213.3177 -2213.3177 -3382.7256 3382.7256 Loop time of 0.200033 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33727318 -2213.30273022 -2213.31773344 Force two-norm initial, final = 0.0199483 1.19099 Force max component initial, final = 0.00134318 0.0778842 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176187 (88.0789) Neigh time (%) = 0 (0) Comm time (%) = 0.00160408 (0.801907) Outpt time (%) = 0.00136685 (0.683313) Other time (%) = 0.0208752 (10.4359) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1750 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1760 2394.545 -2027.8345 -2027.8345 15310.629 -15310.629 1770 2407.6209 -2029.1399 -2029.1399 14888.243 -14888.243 1780 2405.0756 -2029.4619 -2029.4619 13741.587 -13741.587 1790 2365.4394 -2027.3765 -2027.3765 13355.712 -13355.712 1800 2356.3395 -2027.2943 -2027.2943 14127.801 -14127.801 Loop time of 0.123133 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1800 2356.3395 -2027.2943 -2027.2943 14127.801 -14127.801 1820 2356.3395 -2213.2525 -2213.2525 12790.524 -12790.524 Loop time of 0.0413759 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.2942752 -2213.23795516 -2213.25247142 Force two-norm initial, final = 69.1455 0.721695 Force max component initial, final = 7.12807 0.09625 Final line search alpha, max atom move = 0.0390216 0.00375583 Iterations, force evaluations = 20 34 Pair time (%) = 0.33477 (809.096) Neigh time (%) = 0.00333619 (8.06313) Comm time (%) = 0.00240302 (5.80778) Outpt time (%) = 0.00169802 (4.10388) Other time (%) = -0.300832 (-727.071) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.2904 -2213.2904 -3383.9979 3383.9979 1810 3.251716e-10 -2213.2904 -2213.2904 -3383.9979 3383.9979 1820 3.5652298e-09 -2213.2904 -2213.2904 -3383.9984 3383.9984 1830 1.7406358e-08 -2213.2904 -2213.2904 -3384.0002 3384.0002 1840 9.3503608e-08 -2213.2904 -2213.2904 -3384.0102 3384.0102 1850 3.6685995e-07 -2213.2906 -2213.2906 -3384.0463 3384.0463 1860 1.7218224e-06 -2213.2914 -2213.2914 -3384.224 3384.224 1870 5.892173e-06 -2213.2939 -2213.2939 -3384.768 3384.768 1880 1.6273274e-05 -2213.3006 -2213.3006 -3386.0164 3386.0164 1890 3.2087726e-05 -2213.3111 -2213.3111 -3384.8443 3384.8443 1900 6.3561647e-07 -2213.3233 -2213.3233 -3384.906 3384.906 1910 6.3435187e-06 -2213.3265 -2213.3265 -3384.1537 3384.1537 1920 1.4171208e-05 -2213.3354 -2213.3354 -3383.8266 3383.8266 1930 2.5328589e-07 -2213.3364 -2213.3364 -3383.1576 3383.1576 1940 7.9483175e-07 -2213.3367 -2213.3367 -3383.5016 3383.5016 1950 1.4249428e-07 -2213.3368 -2213.3368 -3383.6871 3383.6871 1960 5.9748784e-08 -2213.337 -2213.337 -3383.3183 3383.3183 1970 1.566069e-08 -2213.3371 -2213.3371 -3383.5115 3383.5115 1980 1.2878719e-07 -2213.3371 -2213.3371 -3383.4131 3383.4131 1990 3.10328e-07 -2213.3373 -2213.3373 -3383.3534 3383.3534 2000 8.4347373e-10 -2213.3373 -2213.3373 -3383.3598 3383.3598 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 = -2213.29035342 -2213.33733494 -2213.33733517 Force two-norm initial, final = 0.613581 0.0106001 Force max component initial, final = 0.0647895 0.000717802 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.17682 (88.0406) Neigh time (%) = 0 (0) Comm time (%) = 0.00160694 (0.800114) Outpt time (%) = 0.00135517 (0.674755) Other time (%) = 0.0210571 (10.4846) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.3373 -2213.3373 -3383.3598 3383.3598 2010 9.7048447e-14 -2213.3373 -2213.3373 -3383.3598 3383.3598 2020 1.0640747e-12 -2213.3373 -2213.3373 -3383.3598 3383.3598 2030 5.1956133e-12 -2213.3373 -2213.3373 -3383.3599 3383.3599 2040 2.792411e-11 -2213.3373 -2213.3373 -3383.36 3383.36 2050 1.0979705e-10 -2213.3373 -2213.3373 -3383.3606 3383.3606 2060 5.2072328e-10 -2213.3373 -2213.3373 -3383.3635 3383.3635 2070 1.878675e-09 -2213.3373 -2213.3373 -3383.3729 3383.3729 2080 7.2344515e-09 -2213.3373 -2213.3373 -3383.404 3383.404 2090 1.9839688e-08 -2213.3373 -2213.3373 -3383.395 3383.395 2100 5.2386242e-08 -2213.3374 -2213.3374 -3383.3989 3383.3989 2110 2.0437385e-08 -2213.3374 -2213.3374 -3383.2668 3383.2668 2120 6.0415844e-05 -2213.3165 -2213.3165 -3388.533 3388.533 2130 4.8808171e-05 -2213.262 -2213.262 -3381.7668 3381.7668 2140 8.7046161e-05 -2213.2879 -2213.2879 -3362.332 3362.332 2150 9.0701128e-05 -2213.3202 -2213.3202 -3389.6607 3389.6607 2160 3.6844504e-05 -2213.3252 -2213.3252 -3374.0117 3374.0117 2170 1.4557644e-05 -2213.3314 -2213.3314 -3385.8023 3385.8023 2180 1.0377537e-05 -2213.3348 -2213.3348 -3386.4187 3386.4187 2190 1.1765519e-05 -2213.3369 -2213.3369 -3384.6374 3384.6374 2200 2.5449853e-06 -2213.3372 -2213.3372 -3382.5904 3382.5904 Loop time of 0.241411 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33733517 -2213.33725519 -2213.33722989 Force two-norm initial, final = 0.0106001 0.10466 Force max component initial, final = 0.000717802 0.00853205 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176206 (72.9901) Neigh time (%) = 0 (0) Comm time (%) = 0.00159073 (0.65893) Outpt time (%) = 0.00134277 (0.556219) Other time (%) = 0.0622714 (25.7948) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 1700 2424.1493 -2031.5111 -2031.5111 14013.702 -14013.702 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1700 2424.1493 -2031.5111 -2031.5111 14013.702 -14013.702 1710 2354.1892 -2027.4499 -2027.4499 14689.442 -14689.442 1720 2279.7128 -2023.0251 -2023.0251 15232.481 -15232.481 1730 2403.5423 -2031.6367 -2031.6367 13744.663 -13744.663 1740 2359.5591 -2029.1658 -2029.1658 14129.522 -14129.522 1750 2350.5521 -2028.9931 -2028.9931 14797.314 -14797.314 Loop time of 0.124267 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 1750 2350.5521 -2028.9931 -2028.9931 14797.314 -14797.314 1771 2350.5521 -2213.2325 -2213.2325 12759.873 -12759.873 Loop time of 0.048322 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.9930986 -2213.21388085 -2213.23252773 Force two-norm initial, final = 70.2013 0.565454 Force max component initial, final = 6.77926 0.0740597 Final line search alpha, max atom move = 0.0625 0.00462873 Iterations, force evaluations = 21 40 Pair time (%) = 0.342616 (709.028) Neigh time (%) = 0.00338006 (6.99487) Comm time (%) = 0.00246549 (5.10221) Outpt time (%) = 0.00169897 (3.51594) Other time (%) = -0.301839 (-624.641) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1750 0 -2213.3083 -2213.3083 -3384.0321 3384.0321 1760 1.5731876e-10 -2213.3083 -2213.3083 -3384.0321 3384.0321 1770 1.7248536e-09 -2213.3083 -2213.3083 -3384.0323 3384.0323 1780 8.4206562e-09 -2213.3083 -2213.3083 -3384.033 3384.033 1790 4.5223904e-08 -2213.3083 -2213.3083 -3384.0373 3384.0373 1800 1.7719537e-07 -2213.3084 -2213.3084 -3384.0529 3384.0529 1810 8.283324e-07 -2213.3088 -2213.3088 -3384.1288 3384.1288 1820 2.7846255e-06 -2213.31 -2213.31 -3384.3528 3384.3528 1830 8.309417e-06 -2213.3138 -2213.3138 -3384.7854 3384.7854 1840 1.7870829e-05 -2213.3208 -2213.3208 -3383.9335 3383.9335 1850 2.6314384e-05 -2213.3324 -2213.3324 -3383.1721 3383.1721 1860 3.4557638e-06 -2213.3365 -2213.3365 -3383.0345 3383.0345 1870 5.6220885e-07 -2213.3371 -2213.3371 -3383.7893 3383.7893 1880 5.2296499e-07 -2213.3373 -2213.3373 -3383.5944 3383.5944 1890 1.9998563e-07 -2213.3374 -2213.3374 -3383.3819 3383.3819 1900 1.0777477e-08 -2213.3374 -2213.3374 -3383.4087 3383.4087 1910 9.3065004e-09 -2213.3374 -2213.3374 -3383.4178 3383.4178 1913 3.192813e-08 -2213.3374 -2213.3374 -3383.4107 3383.4107 Loop time of 0.163831 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3082919 -2213.33738401 -2213.33738514 Force two-norm initial, final = 0.426782 0.00685144 Force max component initial, final = 0.0429426 0.000504648 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.147544 (90.0585) Neigh time (%) = 0 (0) Comm time (%) = 0.00130367 (0.795742) Outpt time (%) = 0.00107789 (0.657928) Other time (%) = 0.0139058 (8.48787) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1913 0 -2213.3374 -2213.3374 -3383.4107 3383.4107 1920 1.657314e-14 -2213.3374 -2213.3374 -3383.4107 3383.4107 1930 2.2884964e-13 -2213.3374 -2213.3374 -3383.4107 3383.4107 1940 1.3684473e-12 -2213.3374 -2213.3374 -3383.4107 3383.4107 1950 6.9038409e-12 -2213.3374 -2213.3374 -3383.4106 3383.4106 1960 3.0118189e-11 -2213.3374 -2213.3374 -3383.4105 3383.4105 1970 1.2857133e-10 -2213.3374 -2213.3374 -3383.4102 3383.4102 1980 4.4911331e-10 -2213.3374 -2213.3374 -3383.4087 3383.4087 1990 9.4809106e-10 -2213.3374 -2213.3374 -3383.4034 3383.4034 2000 1.2040409e-09 -2213.3374 -2213.3374 -3383.3962 3383.3962 2010 2.9378144e-09 -2213.3374 -2213.3374 -3383.3938 3383.3938 2020 7.4052224e-11 -2213.3374 -2213.3374 -3383.3875 3383.3875 2030 1.422765e-09 -2213.3374 -2213.3374 -3383.3912 3383.3912 2040 4.252429e-12 -2213.3374 -2213.3374 -3383.3924 3383.3924 2050 2.9433993e-11 -2213.3374 -2213.3374 -3383.3957 3383.3957 2060 2.1391873e-10 -2213.3374 -2213.3374 -3383.3949 3383.3949 2070 9.36048e-15 -2213.3374 -2213.3374 -3383.3947 3383.3947 2080 4.016617e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2090 1.7232337e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2100 4.6594728e-13 -2213.3374 -2213.3374 -3383.3947 3383.3947 2110 8.1289408e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2113 5.8304723e-13 -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 = -2213.33738514 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00685144 6.97931e-05 Force max component initial, final = 0.000504648 3.36053e-06 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.179684 (89.7548) Neigh time (%) = 0 (0) Comm time (%) = 0.00160027 (0.799358) Outpt time (%) = 0.00141621 (0.707417) Other time (%) = 0.0174937 (8.73839) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1750 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1760 2394.2114 -2027.8384 -2027.8384 15307.655 -15307.655 1770 2407.1649 -2029.1576 -2029.1576 14882.581 -14882.581 1780 2404.5055 -2029.4911 -2029.4911 13734.865 -13734.865 1790 2364.7547 -2027.4151 -2027.4151 13349.021 -13349.021 1800 2355.6322 -2027.3476 -2027.3476 14120.672 -14120.672 Loop time of 0.124669 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1800 2355.6322 -2027.3476 -2027.3476 14120.672 -14120.672 1822 2355.6322 -2213.2985 -2213.2985 12788.97 -12788.97 Loop time of 0.0497131 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.34759685 -2213.29095469 -2213.29853768 Force two-norm initial, final = 69.1364 0.307551 Force max component initial, final = 7.12685 0.0277577 Final line search alpha, max atom move = 0.0625 0.00173486 Iterations, force evaluations = 22 43 Pair time (%) = 0.347914 (699.842) Neigh time (%) = 0.00333214 (6.70273) Comm time (%) = 0.00247097 (4.97046) Outpt time (%) = 0.00174737 (3.51491) Other time (%) = -0.305751 (-615.03) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.3083 -2213.3083 -3384.0321 3384.0321 1810 1.5731894e-10 -2213.3083 -2213.3083 -3384.0321 3384.0321 1820 1.7248816e-09 -2213.3083 -2213.3083 -3384.0323 3384.0323 1830 8.4216563e-09 -2213.3083 -2213.3083 -3384.033 3384.033 1840 4.5248634e-08 -2213.3083 -2213.3083 -3384.0373 3384.0373 1850 1.7768801e-07 -2213.3084 -2213.3084 -3384.0529 3384.0529 1860 8.3742462e-07 -2213.3088 -2213.3088 -3384.1291 3384.1291 1870 2.9303029e-06 -2213.3101 -2213.3101 -3384.3566 3384.3566 1880 9.923137e-06 -2213.314 -2213.314 -3384.783 3384.783 1890 2.1714982e-05 -2213.3216 -2213.3216 -3383.8723 3383.8723 1900 3.4232881e-07 -2213.3289 -2213.3289 -3384.7787 3384.7787 1910 3.6083821e-06 -2213.3307 -2213.3307 -3383.5495 3383.5495 1920 8.9759092e-06 -2213.3362 -2213.3362 -3382.9913 3382.9913 1930 5.577515e-07 -2213.3366 -2213.3366 -3383.3453 3383.3453 1940 1.1797706e-06 -2213.337 -2213.337 -3383.4397 3383.4397 1950 1.4364509e-07 -2213.337 -2213.337 -3383.5187 3383.5187 1960 2.2841024e-07 -2213.3371 -2213.3371 -3383.3972 3383.3972 1970 3.9107025e-08 -2213.3372 -2213.3372 -3383.4445 3383.4445 1980 1.1219757e-07 -2213.3372 -2213.3372 -3383.4043 3383.4043 1990 2.3933376e-07 -2213.3373 -2213.3373 -3383.3576 3383.3576 2000 7.3721333e-09 -2213.3374 -2213.3374 -3383.3922 3383.3922 Loop time of 0.197559 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.3082919 -2213.33734969 -2213.33735166 Force two-norm initial, final = 0.426782 0.026618 Force max component initial, final = 0.0429426 0.00192861 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.178008 (90.1037) Neigh time (%) = 0 (0) Comm time (%) = 0.00162721 (0.823657) Outpt time (%) = 0.00135207 (0.684389) Other time (%) = 0.0165718 (8.38826) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.3374 -2213.3374 -3383.3922 3383.3922 2010 6.1195134e-13 -2213.3374 -2213.3374 -3383.3922 3383.3922 2020 6.709199e-12 -2213.3374 -2213.3374 -3383.3922 3383.3922 2030 3.2748158e-11 -2213.3374 -2213.3374 -3383.3922 3383.3922 2040 1.7569976e-10 -2213.3374 -2213.3374 -3383.3923 3383.3923 2050 6.8594784e-10 -2213.3374 -2213.3374 -3383.3923 3383.3923 2060 3.1446075e-09 -2213.3374 -2213.3374 -3383.3925 3383.3925 2070 9.7754584e-09 -2213.3374 -2213.3374 -3383.3932 3383.3932 2080 1.1498622e-08 -2213.3374 -2213.3374 -3383.3949 3383.3949 2089 1.3749554e-08 -2213.3374 -2213.3374 -3383.3968 3383.3968 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 = -2213.33735166 -2213.33736608 -2213.33736699 Force two-norm initial, final = 0.026618 0.00537248 Force max component initial, final = 0.00192861 0.000354416 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 89 89 Pair time (%) = 0.0799229 (90.3829) Neigh time (%) = 0 (0) Comm time (%) = 0.00073576 (0.832053) Outpt time (%) = 0.000564098 (0.637925) Other time (%) = 0.00720429 (8.14716) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1800 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1810 2392.4952 -2027.857 -2027.857 15292.571 -15292.571 1820 2404.4327 -2029.2505 -2029.2505 14850.442 -14850.442 1830 2400.6915 -2029.663 -2029.663 13691.04 -13691.04 1840 2359.7958 -2027.6673 -2027.6673 13298.309 -13298.309 1850 2350.0081 -2027.7144 -2027.7144 14061.381 -14061.381 Loop time of 0.124074 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1850 2350.0081 -2027.7144 -2027.7144 14061.381 -14061.381 1871 2350.0081 -2213.2668 -2213.2668 12746.899 -12746.899 Loop time of 0.044992 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.71437738 -2213.2497154 -2213.26677965 Force two-norm initial, final = 69.0675 0.471218 Force max component initial, final = 7.11783 0.0964744 Final line search alpha, max atom move = 0.0685346 0.00661184 Iterations, force evaluations = 21 38 Pair time (%) = 0.242906 (539.887) Neigh time (%) = 0.00334692 (7.43893) Comm time (%) = 0.00157714 (3.50538) Outpt time (%) = 0.000917196 (2.03858) Other time (%) = -0.203755 (-452.869) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.3083 -2213.3083 -3384.0321 3384.0321 1860 1.5731894e-10 -2213.3083 -2213.3083 -3384.0321 3384.0321 1870 1.7248815e-09 -2213.3083 -2213.3083 -3384.0323 3384.0323 1880 8.421654e-09 -2213.3083 -2213.3083 -3384.033 3384.033 1890 4.5248576e-08 -2213.3083 -2213.3083 -3384.0373 3384.0373 1900 1.7768684e-07 -2213.3084 -2213.3084 -3384.0529 3384.0529 1910 8.374008e-07 -2213.3088 -2213.3088 -3384.1291 3384.1291 1920 2.9297648e-06 -2213.3101 -2213.3101 -3384.3566 3384.3566 1930 9.9097222e-06 -2213.314 -2213.314 -3384.783 3384.783 1940 2.1699636e-05 -2213.3216 -2213.3216 -3383.8725 3383.8725 1950 3.4148528e-07 -2213.3289 -2213.3289 -3384.7772 3384.7772 1960 3.5878045e-06 -2213.3307 -2213.3307 -3383.55 3383.55 1970 9.0853878e-06 -2213.3362 -2213.3362 -3383.0089 3383.0089 1980 5.6116777e-07 -2213.3366 -2213.3366 -3383.3282 3383.3282 1990 1.181561e-06 -2213.337 -2213.337 -3383.444 3383.444 2000 1.4161104e-07 -2213.337 -2213.337 -3383.5219 3383.5219 2010 2.2998146e-07 -2213.3371 -2213.3371 -3383.3927 3383.3927 2020 3.896164e-08 -2213.3372 -2213.3372 -3383.4454 3383.4454 2030 1.1127389e-07 -2213.3372 -2213.3372 -3383.4035 3383.4035 2040 2.5339316e-07 -2213.3373 -2213.3373 -3383.358 3383.358 2050 2.3629977e-08 -2213.3373 -2213.3373 -3383.4156 3383.4156 Loop time of 0.195966 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.3082919 -2213.33734153 -2213.33734643 Force two-norm initial, final = 0.426782 0.0269619 Force max component initial, final = 0.0429426 0.0019085 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176685 (90.1611) Neigh time (%) = 0 (0) Comm time (%) = 0.00161123 (0.8222) Outpt time (%) = 0.00135279 (0.690317) Other time (%) = 0.0163169 (8.32639) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.3373 -2213.3373 -3383.4156 3383.4156 2060 6.2786649e-13 -2213.3373 -2213.3373 -3383.4156 3383.4156 2070 6.8836752e-12 -2213.3373 -2213.3373 -3383.4156 3383.4156 2080 3.3599393e-11 -2213.3373 -2213.3373 -3383.4156 3383.4156 2090 1.8025811e-10 -2213.3373 -2213.3373 -3383.4155 3383.4155 2100 7.035564e-10 -2213.3373 -2213.3373 -3383.4152 3383.4152 2110 3.2219669e-09 -2213.3373 -2213.3373 -3383.4137 3383.4137 2120 9.9377088e-09 -2213.3374 -2213.3374 -3383.4086 3383.4086 2130 1.1611066e-08 -2213.3374 -2213.3374 -3383.3905 3383.3905 2139 1.5732884e-08 -2213.3374 -2213.3374 -3383.3951 3383.3951 Loop time of 0.0879021 on 1 procs for 89 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734643 -2213.33736179 -2213.33736279 Force two-norm initial, final = 0.0269619 0.00566693 Force max component initial, final = 0.0019085 0.000375482 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 89 89 Pair time (%) = 0.0794911 (90.4315) Neigh time (%) = 0 (0) Comm time (%) = 0.000724792 (0.824545) Outpt time (%) = 0.000540018 (0.614341) Other time (%) = 0.00714612 (8.12964) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 1750 2350.5521 -2028.9931 -2028.9931 14797.314 -14797.314 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1750 2350.5521 -2028.9931 -2028.9931 14797.314 -14797.314 1760 2380.8935 -2031.6924 -2031.6924 14034.593 -14034.593 1770 2358.1561 -2030.9124 -2030.9124 15002.237 -15002.237 1780 2301.6044 -2027.8827 -2027.8827 15334.984 -15334.984 1790 2224.0965 -2023.3732 -2023.3732 14973.928 -14973.928 1800 2251.7723 -2025.6161 -2025.6161 15018.358 -15018.358 Loop time of 0.122708 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 1800 2251.7723 -2025.6161 -2025.6161 15018.358 -15018.358 1823 2251.7723 -2213.3045 -2213.3045 12067.666 -12067.666 Loop time of 0.050142 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.61605943 -2213.28816343 -2213.30454791 Force two-norm initial, final = 71.807 0.399572 Force max component initial, final = 6.40109 0.0884399 Final line search alpha, max atom move = 0.0727255 0.00643183 Iterations, force evaluations = 23 43 Pair time (%) = 0.24627 (491.144) Neigh time (%) = 0.00328112 (6.54364) Comm time (%) = 0.0016005 (3.19194) Outpt time (%) = 0.000883102 (1.7612) Other time (%) = -0.201892 (-402.641) 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 = 3 Dangerous builds = 0 Memory usage per processor = 4.77839 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.2325 -2213.2325 -3383.8766 3383.8766 1810 2.7616259e-10 -2213.2325 -2213.2325 -3383.8767 3383.8767 1820 3.0279871e-09 -2213.2325 -2213.2325 -3383.8778 3383.8778 1830 1.4785517e-08 -2213.2325 -2213.2325 -3383.8826 3383.8826 1840 7.9488715e-08 -2213.2326 -2213.2326 -3383.9088 3383.9088 1850 3.1277277e-07 -2213.2327 -2213.2327 -3384.0044 3384.0044 1860 1.4905247e-06 -2213.2334 -2213.2334 -3384.483 3384.483 1870 5.3992812e-06 -2213.2358 -2213.2358 -3386.0602 3386.0602 1880 2.074851e-05 -2213.2452 -2213.2452 -3391.7282 3391.7282 1890 4.8256314e-05 -2213.2646 -2213.2646 -3393.3928 3393.3928 1900 0.00012382059 -2213.3183 -2213.3183 -3384.851 3384.851 1910 6.1363064e-07 -2213.3362 -2213.3362 -3382.5257 3382.5257 1920 9.618533e-08 -2213.3366 -2213.3366 -3382.7436 3382.7436 1930 5.2386804e-07 -2213.337 -2213.337 -3383.1414 3383.1414 1940 2.7008414e-07 -2213.3371 -2213.3371 -3383.8438 3383.8438 1950 3.5338176e-08 -2213.3372 -2213.3372 -3383.3456 3383.3456 1960 1.1766346e-07 -2213.3373 -2213.3373 -3383.3459 3383.3459 1970 4.4120437e-08 -2213.3373 -2213.3373 -3383.345 3383.345 1980 1.0533083e-07 -2213.3373 -2213.3373 -3383.2746 3383.2746 1987 2.8502915e-08 -2213.3374 -2213.3374 -3383.3123 3383.3123 Loop time of 0.185137 on 1 procs for 187 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.23252773 -2213.33736247 -2213.33736446 Force two-norm initial, final = 0.565454 0.00832474 Force max component initial, final = 0.0740597 0.000987204 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 187 187 Pair time (%) = 0.166567 (89.9695) Neigh time (%) = 0 (0) Comm time (%) = 0.00152779 (0.825219) Outpt time (%) = 0.00121045 (0.653814) Other time (%) = 0.0158319 (8.55148) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1987 0 -2213.3374 -2213.3374 -3383.3123 3383.3123 1988 4.8536399e-16 -2213.3374 -2213.3374 -3383.3123 3383.3123 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 = -2213.33736446 -2213.33736446 -2213.33736446 Force two-norm initial, final = 0.00832474 0.00832474 Force max component initial, final = 0.000987204 0.000987204 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (88.2439) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.722756) Outpt time (%) = 0 (0) Other time (%) = 0.000232935 (11.0333) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1800 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1810 2394.8579 -2027.8312 -2027.8312 15313.364 -15313.364 1820 2408.1252 -2029.1229 -2029.1229 14894.155 -14894.155 1830 2405.7334 -2029.4305 -2029.4305 13749.338 -13749.338 1840 2366.1796 -2027.3331 -2027.3331 13363.443 -13363.443 1850 2356.9587 -2027.2377 -2027.2377 14134.363 -14134.363 Loop time of 0.123186 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1850 2356.9587 -2027.2377 -2027.2377 14134.363 -14134.363 1872 2356.9587 -2213.3051 -2213.3051 12803.058 -12803.058 Loop time of 0.0493031 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.23769156 -2213.28391059 -2213.30513354 Force two-norm initial, final = 69.1548 0.504994 Force max component initial, final = 7.12932 0.0723078 Final line search alpha, max atom move = 0.0784672 0.00567379 Iterations, force evaluations = 22 43 Pair time (%) = 0.168246 (341.248) Neigh time (%) = 0.00333309 (6.76042) Comm time (%) = 0.0008955 (1.81632) Outpt time (%) = 0.000328541 (0.66637) Other time (%) = -0.1235 (-250.491) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.2325 -2213.2325 -3383.8766 3383.8766 1860 2.7616297e-10 -2213.2325 -2213.2325 -3383.8767 3383.8767 1870 3.0280457e-09 -2213.2325 -2213.2325 -3383.8778 3383.8778 1880 1.4787609e-08 -2213.2325 -2213.2325 -3383.8826 3383.8826 1890 7.9540513e-08 -2213.2326 -2213.2326 -3383.9089 3383.9089 1900 3.1381041e-07 -2213.2327 -2213.2327 -3384.0045 3384.0045 1910 1.5101793e-06 -2213.2334 -2213.2334 -3384.4854 3384.4854 1920 5.7458886e-06 -2213.2359 -2213.2359 -3386.0957 3386.0957 1930 2.5777425e-05 -2213.2459 -2213.2459 -3392.0755 3392.0755 1940 6.042783e-05 -2213.2675 -2213.2675 -3392.8571 3392.8571 1950 1.0382254e-06 -2213.2968 -2213.2968 -3388.4047 3388.4047 1960 1.7351336e-05 -2213.3052 -2213.3052 -3387.3288 3387.3288 1970 4.0447997e-05 -2213.3332 -2213.3332 -3384.093 3384.093 1980 8.833558e-08 -2213.3353 -2213.3353 -3383.4469 3383.4469 1990 9.230327e-07 -2213.3359 -2213.3359 -3383.524 3383.524 2000 2.8141182e-07 -2213.3361 -2213.3361 -3383.5309 3383.5309 2010 4.6467934e-08 -2213.3365 -2213.3365 -3383.4677 3383.4677 2020 2.6225007e-08 -2213.3366 -2213.3366 -3383.5138 3383.5138 2030 2.9875804e-07 -2213.3368 -2213.3368 -3383.4326 3383.4326 2040 7.3667946e-07 -2213.3372 -2213.3372 -3383.3989 3383.3989 2050 1.2928431e-09 -2213.3373 -2213.3373 -3383.4093 3383.4093 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 = -2213.23252773 -2213.33726129 -2213.33726166 Force two-norm initial, final = 0.565454 0.013468 Force max component initial, final = 0.0740597 0.000979676 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.178137 (89.5455) Neigh time (%) = 0 (0) Comm time (%) = 0.00163031 (0.819517) Outpt time (%) = 0.00136924 (0.688284) Other time (%) = 0.0177982 (8.94673) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.3373 -2213.3373 -3383.4093 3383.4093 2060 1.5666759e-13 -2213.3373 -2213.3373 -3383.4093 3383.4093 2070 1.7178356e-12 -2213.3373 -2213.3373 -3383.4093 3383.4093 2080 8.3897024e-12 -2213.3373 -2213.3373 -3383.4093 3383.4093 2090 4.5141917e-11 -2213.3373 -2213.3373 -3383.4093 3383.4093 2100 1.7835619e-10 -2213.3373 -2213.3373 -3383.4094 3383.4094 2110 8.6411758e-10 -2213.3373 -2213.3373 -3383.4097 3383.4097 2120 3.4033347e-09 -2213.3373 -2213.3373 -3383.4108 3383.4108 2130 1.7135073e-08 -2213.3373 -2213.3373 -3383.4134 3383.4134 2140 4.7333163e-08 -2213.3373 -2213.3373 -3383.4051 3383.4051 2145 8.2531411e-08 -2213.3373 -2213.3373 -3383.3993 3383.3993 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 = -2213.33726166 -2213.33730967 -2213.33731584 Force two-norm initial, final = 0.013468 0.00928727 Force max component initial, final = 0.000979676 0.000627652 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 95 95 Pair time (%) = 0.0853224 (90.785) Neigh time (%) = 0 (0) Comm time (%) = 0.000769615 (0.818888) Outpt time (%) = 0.000618458 (0.658053) Other time (%) = 0.00727248 (7.73809) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1850 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1860 2392.579 -2027.8555 -2027.8555 15293.421 -15293.421 1870 2404.3142 -2029.2472 -2029.2472 14850.053 -14850.053 1880 2400.1901 -2029.6694 -2029.6694 13686.303 -13686.303 1890 2358.7045 -2027.6974 -2027.6974 13286.37 -13286.37 1900 2348.0825 -2027.7817 -2027.7817 14039.906 -14039.906 Loop time of 0.123995 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1900 2348.0825 -2027.7817 -2027.7817 14039.906 -14039.906 1921 2348.0825 -2213.2658 -2213.2658 12735.432 -12735.432 Loop time of 0.046206 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.78167678 -2213.25219424 -2213.26583146 Force two-norm initial, final = 69.0491 0.342059 Force max component initial, final = 7.11558 0.0408205 Final line search alpha, max atom move = 0.0462238 0.00188688 Iterations, force evaluations = 21 39 Pair time (%) = 0.249456 (539.878) Neigh time (%) = 0.00333524 (7.21819) Comm time (%) = 0.00161505 (3.49532) Outpt time (%) = 0.000965595 (2.08976) Other time (%) = -0.209166 (-452.682) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 1900 0 -2213.2325 -2213.2325 -3383.8766 3383.8766 1910 2.7616297e-10 -2213.2325 -2213.2325 -3383.8767 3383.8767 1920 3.0280452e-09 -2213.2325 -2213.2325 -3383.8778 3383.8778 1930 1.4787593e-08 -2213.2325 -2213.2325 -3383.8826 3383.8826 1940 7.9540113e-08 -2213.2326 -2213.2326 -3383.9089 3383.9089 1950 3.1380225e-07 -2213.2327 -2213.2327 -3384.0045 3384.0045 1960 1.5100116e-06 -2213.2334 -2213.2334 -3384.4853 3384.4853 1970 5.7418848e-06 -2213.2359 -2213.2359 -3386.0953 3386.0953 1980 2.563246e-05 -2213.2459 -2213.2459 -3392.069 3392.069 1990 6.0255529e-05 -2213.2674 -2213.2674 -3392.8648 3392.8648 2000 1.0387143e-06 -2213.2968 -2213.2968 -3388.4187 3388.4187 2010 1.7197523e-05 -2213.3051 -2213.3051 -3387.3414 3387.3414 2020 4.1895549e-05 -2213.3333 -2213.3333 -3384.1741 3384.1741 2030 8.5686802e-08 -2213.3354 -2213.3354 -3383.4311 3383.4311 2040 8.7455347e-07 -2213.336 -2213.336 -3383.5066 3383.5066 2050 2.6037287e-07 -2213.3362 -2213.3362 -3383.5273 3383.5273 2060 4.4596158e-08 -2213.3366 -2213.3366 -3383.4583 3383.4583 2070 2.4669045e-08 -2213.3366 -2213.3366 -3383.5115 3383.5115 2080 2.8302391e-07 -2213.3368 -2213.3368 -3383.4279 3383.4279 2090 7.3916618e-07 -2213.3372 -2213.3372 -3383.405 3383.405 2100 1.7811361e-09 -2213.3373 -2213.3373 -3383.4137 3383.4137 Loop time of 0.193756 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.23252773 -2213.33727192 -2213.33727234 Force two-norm initial, final = 0.565454 0.0119478 Force max component initial, final = 0.0740597 0.000820925 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176991 (91.3472) Neigh time (%) = 0 (0) Comm time (%) = 0.00161719 (0.834654) Outpt time (%) = 0.00133586 (0.689454) Other time (%) = 0.0138123 (7.12871) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.3373 -2213.3373 -3383.4137 3383.4137 2110 1.232953e-13 -2213.3373 -2213.3373 -3383.4137 3383.4137 2120 1.351913e-12 -2213.3373 -2213.3373 -3383.4137 3383.4137 2130 6.6023346e-12 -2213.3373 -2213.3373 -3383.4137 3383.4137 2140 3.5522234e-11 -2213.3373 -2213.3373 -3383.4137 3383.4137 2150 1.4021491e-10 -2213.3373 -2213.3373 -3383.4138 3383.4138 2160 6.7781088e-10 -2213.3373 -2213.3373 -3383.4138 3383.4138 2170 2.5917067e-09 -2213.3373 -2213.3373 -3383.4139 3383.4139 2180 1.2179415e-08 -2213.3373 -2213.3373 -3383.4134 3383.4134 2190 4.2237617e-08 -2213.3373 -2213.3373 -3383.4049 3383.4049 2195 7.9942577e-08 -2213.3373 -2213.3373 -3383.3991 3383.3991 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 = -2213.33727234 -2213.33731493 -2213.33732078 Force two-norm initial, final = 0.0119478 0.00895011 Force max component initial, final = 0.000820925 0.000595184 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 95 95 Pair time (%) = 0.084573 (91.0826) Neigh time (%) = 0 (0) Comm time (%) = 0.000772238 (0.831677) Outpt time (%) = 0.000602245 (0.6486) Other time (%) = 0.00690556 (7.43708) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 1800 2251.7723 -2025.6161 -2025.6161 15018.358 -15018.358 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1800 2251.7723 -2025.6161 -2025.6161 15018.358 -15018.358 1810 2465.5631 -2040.5253 -2040.5253 13615.378 -13615.378 1820 2451.9513 -2040.6037 -2040.6037 14545.601 -14545.601 1830 2304.9497 -2031.9924 -2031.9924 17022.799 -17022.799 1840 2308.4793 -2033.271 -2033.271 17820.328 -17820.328 1850 2401.3035 -2040.4531 -2040.4531 17760.919 -17760.919 Loop time of 0.123065 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 1850 2401.3035 -2040.4531 -2040.4531 17760.919 -17760.919 1869 2401.3035 -2213.2261 -2213.2261 13088.701 -13088.701 Loop time of 0.0433941 on 1 procs for 19 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2040.45305646 -2213.20940646 -2213.22614687 Force two-norm initial, final = 68.8784 0.498302 Force max component initial, final = 6.4428 0.055075 Final line search alpha, max atom move = 0.0625 0.00344219 Iterations, force evaluations = 19 36 Pair time (%) = 0.245104 (564.832) Neigh time (%) = 0.00332189 (7.65516) Comm time (%) = 0.00158668 (3.65643) Outpt time (%) = 0.000929356 (2.14166) Other time (%) = -0.207548 (-478.286) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.3045 -2213.3045 -3397.6575 3397.6575 1860 1.3789885e-10 -2213.3045 -2213.3045 -3397.6573 3397.6573 1870 1.5119871e-09 -2213.3045 -2213.3045 -3397.6555 3397.6555 1880 7.3829377e-09 -2213.3046 -2213.3046 -3397.6479 3397.6479 1890 3.9688634e-08 -2213.3046 -2213.3046 -3397.6061 3397.6061 1900 1.5617044e-07 -2213.3046 -2213.3046 -3397.4539 3397.4539 1910 7.4349947e-07 -2213.305 -2213.305 -3396.6897 3396.6897 1920 2.7098311e-06 -2213.3062 -2213.3062 -3394.1477 3394.1477 1930 1.0971093e-05 -2213.3107 -2213.3107 -3385.0656 3385.0656 1940 2.3950572e-05 -2213.3206 -2213.3206 -3385.851 3385.851 1950 2.6953194e-05 -2213.3331 -2213.3331 -3383.893 3383.893 1960 1.1311806e-06 -2213.3358 -2213.3358 -3380.4284 3380.4284 1970 3.3908126e-07 -2213.3362 -2213.3362 -3384.0812 3384.0812 1980 1.1688336e-06 -2213.3368 -2213.3368 -3383.31 3383.31 1990 5.0887744e-08 -2213.3373 -2213.3373 -3381.3357 3381.3357 2000 1.2470685e-08 -2213.3373 -2213.3373 -3383.8885 3383.8885 2010 6.6652201e-08 -2213.3374 -2213.3374 -3383.5426 3383.5426 2020 1.9851398e-09 -2213.3374 -2213.3374 -3383.0402 3383.0402 2029 1.0559602e-08 -2213.3374 -2213.3374 -3383.4543 3383.4543 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 = -2213.30454791 -2213.33737808 -2213.33737923 Force two-norm initial, final = 0.399572 0.00376407 Force max component initial, final = 0.0884399 0.00042445 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 179 179 Pair time (%) = 0.159827 (89.5732) Neigh time (%) = 0 (0) Comm time (%) = 0.00145578 (0.815876) Outpt time (%) = 0.00115442 (0.646982) Other time (%) = 0.0159945 (8.96395) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2029 0 -2213.3374 -2213.3374 -3383.4543 3383.4543 2030 9.9229815e-17 -2213.3374 -2213.3374 -3383.4543 3383.4543 Loop time of 0.00239921 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737923 -2213.33737923 -2213.33737923 Force two-norm initial, final = 0.00376407 0.00376407 Force max component initial, final = 0.00042445 0.00042445 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00201511 (83.9909) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.695618) Outpt time (%) = 0 (0) Other time (%) = 0.000367403 (15.3135) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1850 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1860 2385.1335 -2027.938 -2027.938 15227.697 -15227.697 1870 2393.1569 -2029.6467 -2029.6467 14716.083 -14716.083 1880 2385.6497 -2030.3734 -2030.3734 13516.022 -13516.022 1890 2341.2433 -2028.6675 -2028.6675 13109.785 -13109.785 1900 2330.5769 -2029.1143 -2029.1143 13859.203 -13859.203 Loop time of 0.123867 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 1900 2330.5769 -2029.1143 -2029.1143 13859.203 -13859.203 1920 2330.5769 -2213.2799 -2213.2799 12622.962 -12622.962 Loop time of 0.0422959 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2029.11430571 -2213.26611314 -2213.27987891 Force two-norm initial, final = 68.8161 1.09635 Force max component initial, final = 7.08451 0.107427 Final line search alpha, max atom move = 0.0253615 0.00272451 Iterations, force evaluations = 20 35 Pair time (%) = 0.162191 (383.467) Neigh time (%) = 0.00331879 (7.84659) Comm time (%) = 0.000836849 (1.97856) Outpt time (%) = 0.000335217 (0.79255) Other time (%) = -0.124386 (-294.085) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1900 0 -2213.3045 -2213.3045 -3397.6575 3397.6575 1910 1.3789893e-10 -2213.3045 -2213.3045 -3397.6573 3397.6573 1920 1.5120001e-09 -2213.3045 -2213.3045 -3397.6555 3397.6555 1930 7.3834024e-09 -2213.3046 -2213.3046 -3397.6479 3397.6479 1940 3.9700126e-08 -2213.3046 -2213.3046 -3397.6061 3397.6061 1950 1.5639943e-07 -2213.3046 -2213.3046 -3397.4538 3397.4538 1960 7.4773071e-07 -2213.305 -2213.305 -3396.6881 3396.6881 1970 2.778292e-06 -2213.3062 -2213.3062 -3394.1242 3394.1242 1980 1.1914699e-05 -2213.3108 -2213.3108 -3384.8877 3384.8877 1990 3.0406609e-05 -2213.3216 -2213.3216 -3386.7109 3386.7109 2000 2.4815959e-07 -2213.3301 -2213.3301 -3383.0242 3383.0242 2010 3.7046653e-06 -2213.3319 -2213.3319 -3384.6227 3384.6227 2020 2.2595414e-07 -2213.3343 -2213.3343 -3383.5823 3383.5823 2030 2.2810738e-06 -2213.3354 -2213.3354 -3383.1095 3383.1095 2040 4.2480001e-07 -2213.3356 -2213.3356 -3383.9379 3383.9379 2050 1.5157328e-06 -2213.3365 -2213.3365 -3383.4803 3383.4803 2060 4.087296e-08 -2213.3372 -2213.3372 -3383.7225 3383.7225 2070 4.1014494e-08 -2213.3372 -2213.3372 -3383.2114 3383.2114 2080 1.7537549e-07 -2213.3373 -2213.3373 -3383.0934 3383.0934 2090 2.0916459e-09 -2213.3373 -2213.3373 -3383.4842 3383.4842 2100 2.5288746e-08 -2213.3373 -2213.3373 -3383.3885 3383.3885 Loop time of 0.197684 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.30454791 -2213.3373414 -2213.33734447 Force two-norm initial, final = 0.399572 0.00724392 Force max component initial, final = 0.0884399 0.000445918 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.17789 (89.9872) Neigh time (%) = 0 (0) Comm time (%) = 0.00160837 (0.813607) Outpt time (%) = 0.00135589 (0.685886) Other time (%) = 0.0168295 (8.51333) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.3373 -2213.3373 -3383.3885 3383.3885 2110 4.5322931e-14 -2213.3373 -2213.3373 -3383.3885 3383.3885 2120 4.9695878e-13 -2213.3373 -2213.3373 -3383.3885 3383.3885 2130 2.4269833e-12 -2213.3373 -2213.3373 -3383.3885 3383.3885 2140 1.3057754e-11 -2213.3373 -2213.3373 -3383.3885 3383.3885 2150 5.153461e-11 -2213.3373 -2213.3373 -3383.3887 3383.3887 2160 2.4908872e-10 -2213.3373 -2213.3373 -3383.3894 3383.3894 2167 6.3257208e-10 -2213.3373 -2213.3373 -3383.3907 3383.3907 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 = -2213.33734447 -2213.33734481 -2213.33734486 Force two-norm initial, final = 0.00724392 0.00720593 Force max component initial, final = 0.000445918 0.000441026 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 67 67 Pair time (%) = 0.0601144 (90.1159) Neigh time (%) = 0 (0) Comm time (%) = 0.000548363 (0.822036) Outpt time (%) = 0.000402927 (0.604018) Other time (%) = 0.00564218 (8.45804) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 1900 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1910 2384.902 -2027.9433 -2027.9433 15225.192 -15225.192 1920 2393.7028 -2029.655 -2029.655 14718.865 -14718.865 1930 2387.3723 -2030.3441 -2030.3441 13533.119 -13533.119 1940 2344.4789 -2028.5644 -2028.5644 13146.372 -13146.372 1950 2335.6473 -2028.9133 -2028.9133 13916.756 -13916.756 Loop time of 0.123233 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 1950 2335.6473 -2028.9133 -2028.9133 13916.756 -13916.756 1971 2335.6473 -2213.2898 -2213.2898 12652.314 -12652.314 Loop time of 0.0475311 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.91328474 -2213.27661277 -2213.28983178 Force two-norm initial, final = 68.8683 0.445414 Force max component initial, final = 7.09093 0.105566 Final line search alpha, max atom move = 0.0499459 0.00527259 Iterations, force evaluations = 21 41 Pair time (%) = 0.224823 (473.002) Neigh time (%) = 0.00333595 (7.01846) Comm time (%) = 0.00141168 (2.97) Outpt time (%) = 0.000734091 (1.54444) Other time (%) = -0.182774 (-384.535) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.3045 -2213.3045 -3397.6575 3397.6575 1960 1.3789894e-10 -2213.3045 -2213.3045 -3397.6573 3397.6573 1970 1.5120003e-09 -2213.3045 -2213.3045 -3397.6555 3397.6555 1980 7.3834082e-09 -2213.3046 -2213.3046 -3397.6479 3397.6479 1990 3.9700268e-08 -2213.3046 -2213.3046 -3397.6061 3397.6061 2000 1.5640212e-07 -2213.3046 -2213.3046 -3397.4538 3397.4538 2010 7.4776824e-07 -2213.305 -2213.305 -3396.688 3396.688 2020 2.7780469e-06 -2213.3062 -2213.3062 -3394.1242 3394.1242 2030 1.188478e-05 -2213.3108 -2213.3108 -3384.892 3384.892 2040 3.0562032e-05 -2213.3216 -2213.3216 -3386.731 3386.731 2050 2.476973e-07 -2213.3301 -2213.3301 -3382.9769 3382.9769 2060 3.7364832e-06 -2213.3319 -2213.3319 -3384.6238 3384.6238 2070 6.9721333e-06 -2213.3366 -2213.3366 -3383.0168 3383.0168 2080 9.4613385e-08 -2213.3369 -2213.3369 -3384.9637 3384.9637 2090 3.741307e-07 -2213.3371 -2213.3371 -3383.1659 3383.1659 2100 6.6155298e-08 -2213.3371 -2213.3371 -3382.8223 3382.8223 2110 4.2942874e-08 -2213.3372 -2213.3372 -3383.7868 3383.7868 2120 1.0146668e-08 -2213.3372 -2213.3372 -3383.2245 3383.2245 2130 5.9800653e-08 -2213.3373 -2213.3373 -3383.4879 3383.4879 2140 1.2899035e-07 -2213.3374 -2213.3374 -3383.6775 3383.6775 2150 1.4795298e-09 -2213.3374 -2213.3374 -3383.5245 3383.5245 Loop time of 0.194622 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.30454791 -2213.33737027 -2213.33737066 Force two-norm initial, final = 0.399572 0.0120219 Force max component initial, final = 0.0884399 0.000666071 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.177448 (91.1755) Neigh time (%) = 0 (0) Comm time (%) = 0.00161028 (0.827388) Outpt time (%) = 0.00136662 (0.702189) Other time (%) = 0.0141976 (7.29495) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.3374 -2213.3374 -3383.5245 3383.5245 2160 1.2482824e-13 -2213.3374 -2213.3374 -3383.5245 3383.5245 2170 1.3685853e-12 -2213.3374 -2213.3374 -3383.5244 3383.5244 2180 6.6805972e-12 -2213.3374 -2213.3374 -3383.5244 3383.5244 2190 3.5853789e-11 -2213.3374 -2213.3374 -3383.5238 3383.5238 2200 1.4016241e-10 -2213.3374 -2213.3374 -3383.522 3383.522 2210 6.4663354e-10 -2213.3374 -2213.3374 -3383.5125 3383.5125 2220 2.0791118e-09 -2213.3374 -2213.3374 -3383.4809 3383.4809 2230 4.148256e-09 -2213.3374 -2213.3374 -3383.3703 3383.3703 2239 6.1538236e-09 -2213.3374 -2213.3374 -3383.38 3383.38 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 = -2213.33737066 -2213.33737554 -2213.33737596 Force two-norm initial, final = 0.0120219 0.00396607 Force max component initial, final = 0.000666071 0.000241235 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 89 89 Pair time (%) = 0.0794194 (90.5539) Neigh time (%) = 0 (0) Comm time (%) = 0.000730991 (0.833476) Outpt time (%) = 0.000542879 (0.618991) Other time (%) = 0.0070107 (7.9936) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 1950 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1960 2388.3651 -2027.9062 -2027.9062 15255.538 -15255.538 1970 2399.3136 -2029.4673 -2029.4673 14784.443 -14784.443 1980 2395.1766 -2029.9925 -2029.9925 13623 -13623 1990 2354.4877 -2028.0489 -2028.0489 13249.26 -13249.26 2000 2346.7559 -2028.1723 -2028.1723 14033.73 -14033.73 Loop time of 0.12345 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 2000 2346.7559 -2028.1723 -2028.1723 14033.73 -14033.73 2020 2346.7559 -2213.2064 -2213.2064 12719.84 -12719.84 Loop time of 0.041358 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.17233081 -2213.1882074 -2213.20642056 Force two-norm initial, final = 69.0069 0.866312 Force max component initial, final = 7.10913 0.239549 Final line search alpha, max atom move = 0.0718511 0.0172118 Iterations, force evaluations = 20 34 Pair time (%) = 0.238229 (576.017) Neigh time (%) = 0.00336909 (8.14617) Comm time (%) = 0.00153232 (3.70501) Outpt time (%) = 0.000885248 (2.14045) Other time (%) = -0.202658 (-490.009) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.26612 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.3045 -2213.3045 -3397.6575 3397.6575 2010 1.3789893e-10 -2213.3045 -2213.3045 -3397.6573 3397.6573 2020 1.5119994e-09 -2213.3045 -2213.3045 -3397.6555 3397.6555 2030 7.3833771e-09 -2213.3046 -2213.3046 -3397.6479 3397.6479 2040 3.9699497e-08 -2213.3046 -2213.3046 -3397.6061 3397.6061 2050 1.5638664e-07 -2213.3046 -2213.3046 -3397.4538 3397.4538 2060 7.4747291e-07 -2213.305 -2213.305 -3396.6882 3396.6882 2070 2.7726758e-06 -2213.3062 -2213.3062 -3394.126 3394.126 2080 1.1804272e-05 -2213.3108 -2213.3108 -3384.9074 3384.9074 2090 3.0482027e-05 -2213.3215 -2213.3215 -3386.7269 3386.7269 2100 2.4739115e-07 -2213.3301 -2213.3301 -3382.9784 3382.9784 2110 3.6877945e-06 -2213.3319 -2213.3319 -3384.6422 3384.6422 2120 7.2209586e-06 -2213.3366 -2213.3366 -3382.6617 3382.6617 2130 9.4322519e-08 -2213.3369 -2213.3369 -3385.0963 3385.0963 2140 3.6383528e-07 -2213.3371 -2213.3371 -3383.0697 3383.0697 2150 6.4367723e-08 -2213.3372 -2213.3372 -3382.8003 3382.8003 2160 4.0538246e-08 -2213.3372 -2213.3372 -3383.7969 3383.7969 2170 9.7654381e-09 -2213.3373 -2213.3373 -3383.2176 3383.2176 2180 5.6945351e-08 -2213.3373 -2213.3373 -3383.4965 3383.4965 2190 1.2347829e-07 -2213.3374 -2213.3374 -3383.7126 3383.7126 2200 1.6049583e-09 -2213.3374 -2213.3374 -3383.5375 3383.5375 Loop time of 0.19443 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.30454791 -2213.33737032 -2213.33737075 Force two-norm initial, final = 0.399572 0.0125035 Force max component initial, final = 0.0884399 0.000692433 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.177482 (91.2834) Neigh time (%) = 0 (0) Comm time (%) = 0.00161099 (0.828572) Outpt time (%) = 0.00134206 (0.690252) Other time (%) = 0.0139947 (7.1978) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.3374 -2213.3374 -3383.5375 3383.5375 2210 1.3502983e-13 -2213.3374 -2213.3374 -3383.5375 3383.5375 2220 1.4804332e-12 -2213.3374 -2213.3374 -3383.5374 3383.5374 2230 7.2265989e-12 -2213.3374 -2213.3374 -3383.5373 3383.5373 2240 3.878445e-11 -2213.3374 -2213.3374 -3383.5368 3383.5368 2250 1.5163391e-10 -2213.3374 -2213.3374 -3383.5347 3383.5347 2260 6.9971054e-10 -2213.3374 -2213.3374 -3383.5243 3383.5243 2270 2.2560419e-09 -2213.3374 -2213.3374 -3383.4894 3383.4894 2280 4.4375911e-09 -2213.3374 -2213.3374 -3383.3658 3383.3658 2290 6.6794087e-09 -2213.3374 -2213.3374 -3383.3945 3383.3945 2296 1.0476423e-08 -2213.3374 -2213.3374 -3383.4255 3383.4255 Loop time of 0.0933969 on 1 procs for 96 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737075 -2213.33737946 -2213.33738036 Force two-norm initial, final = 0.0125035 0.00325743 Force max component initial, final = 0.000692433 0.000206519 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 96 96 Pair time (%) = 0.0855443 (91.5923) Neigh time (%) = 0 (0) Comm time (%) = 0.000776291 (0.831174) Outpt time (%) = 0.000607967 (0.65095) Other time (%) = 0.0064683 (6.9256) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 2000 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2010 2392.2741 -2027.8625 -2027.8625 15290.091 -15290.091 2020 2405.1249 -2029.2577 -2029.2577 14854.426 -14854.426 2030 2402.8044 -2029.625 -2029.625 13712.054 -13712.054 2040 2363.8517 -2027.5395 -2027.5395 13343.525 -13343.525 2050 2356.5562 -2027.4606 -2027.4606 14135.021 -14135.021 Loop time of 0.123152 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2050 2356.5562 -2027.4606 -2027.4606 14135.021 -14135.021 2071 2356.5562 -2213.2905 -2213.2905 12799.501 -12799.501 Loop time of 0.044847 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.46058532 -2213.27623426 -2213.29054963 Force two-norm initial, final = 69.1331 0.574041 Force max component initial, final = 7.1259 0.0611461 Final line search alpha, max atom move = 0.125 0.00764326 Iterations, force evaluations = 21 38 Pair time (%) = 0.247555 (551.999) Neigh time (%) = 0.00332594 (7.41619) Comm time (%) = 0.00159836 (3.56402) Outpt time (%) = 0.000936985 (2.08929) Other time (%) = -0.20857 (-465.069) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.76203 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.3045 -2213.3045 -3397.6575 3397.6575 2060 1.3789893e-10 -2213.3045 -2213.3045 -3397.6573 3397.6573 2070 1.5119995e-09 -2213.3045 -2213.3045 -3397.6555 3397.6555 2080 7.3833806e-09 -2213.3046 -2213.3046 -3397.6479 3397.6479 2090 3.9699586e-08 -2213.3046 -2213.3046 -3397.6061 3397.6061 2100 1.5638856e-07 -2213.3046 -2213.3046 -3397.4538 3397.4538 2110 7.4752075e-07 -2213.305 -2213.305 -3396.6881 3396.6881 2120 2.7742946e-06 -2213.3062 -2213.3062 -3394.1255 3394.1255 2130 1.1852594e-05 -2213.3108 -2213.3108 -3384.8997 3384.8997 2140 3.0211501e-05 -2213.3215 -2213.3215 -3386.692 3386.692 2150 2.4796811e-07 -2213.3301 -2213.3301 -3383.0093 3383.0093 2160 3.7148905e-06 -2213.3319 -2213.3319 -3384.6258 3384.6258 2170 6.9077368e-06 -2213.3365 -2213.3365 -3383.2324 3383.2324 2180 9.3378124e-08 -2213.3369 -2213.3369 -3384.8678 3384.8678 2190 2.587895e-08 -2213.337 -2213.337 -3382.546 3382.546 2200 1.1325332e-07 -2213.337 -2213.337 -3383.9413 3383.9413 2210 3.9136646e-07 -2213.3372 -2213.3372 -3383.6783 3383.6783 2220 2.0208531e-09 -2213.3373 -2213.3373 -3383.3384 3383.3384 2230 3.4334712e-08 -2213.3373 -2213.3373 -3383.4486 3383.4486 2240 1.2346908e-07 -2213.3373 -2213.3373 -3383.4526 3383.4526 2250 3.1647484e-11 -2213.3374 -2213.3374 -3383.4097 3383.4097 Loop time of 0.19438 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.30454791 -2213.33736699 -2213.33736699 Force two-norm initial, final = 0.399572 0.00645679 Force max component initial, final = 0.0884399 0.000431031 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.17744 (91.2849) Neigh time (%) = 0 (0) Comm time (%) = 0.00157905 (0.81235) Outpt time (%) = 0.00134802 (0.693496) Other time (%) = 0.0140133 (7.20922) 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 = 6.76203 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.3374 -2213.3374 -3383.4097 3383.4097 2260 3.600841e-14 -2213.3374 -2213.3374 -3383.4097 3383.4097 2270 3.948146e-13 -2213.3374 -2213.3374 -3383.4097 3383.4097 2280 1.9279202e-12 -2213.3374 -2213.3374 -3383.4097 3383.4097 2290 1.0365301e-11 -2213.3374 -2213.3374 -3383.4096 3383.4096 2300 4.0817777e-11 -2213.3374 -2213.3374 -3383.4094 3383.4094 2310 1.9487093e-10 -2213.3374 -2213.3374 -3383.4085 3383.4085 2320 7.2364999e-10 -2213.3374 -2213.3374 -3383.4056 3383.4056 2330 3.0490167e-09 -2213.3374 -2213.3374 -3383.3956 3383.3956 2340 8.2579153e-09 -2213.3374 -2213.3374 -3383.3973 3383.3973 2350 1.7757842e-08 -2213.3374 -2213.3374 -3383.3911 3383.3911 2360 7.8073646e-09 -2213.3374 -2213.3374 -3383.4224 3383.4224 2370 5.2616552e-08 -2213.3335 -2213.3335 -3382.0787 3382.0787 2380 1.4624629e-05 -2213.3362 -2213.3362 -3383.9038 3383.9038 2390 1.9470935e-07 -2213.3322 -2213.3322 -3383.0516 3383.0516 2400 8.0179956e-07 -2213.3353 -2213.3353 -3382.6696 3382.6696 2410 8.7757005e-07 -2213.3357 -2213.3357 -3383.5374 3383.5374 2420 9.3687428e-07 -2213.3371 -2213.3371 -3383.6474 3383.6474 2430 3.3951242e-07 -2213.3371 -2213.3371 -3383.3533 3383.3533 2440 1.5404041e-06 -2213.3374 -2213.3374 -3383.3198 3383.3198 2450 1.0209608e-07 -2213.3374 -2213.3374 -3383.3769 3383.3769 Loop time of 0.236389 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33736699 -2213.33736946 -2213.33736536 Force two-norm initial, final = 0.00645679 0.0414351 Force max component initial, final = 0.000431031 0.00169892 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176347 (74.6006) Neigh time (%) = 0 (0) Comm time (%) = 0.00162339 (0.686746) Outpt time (%) = 0.00136924 (0.579231) Other time (%) = 0.0570488 (24.1334) 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 = 6.76203 Mbytes Step Temp PotEng pe Press press 1900 2330.5769 -2029.1143 -2029.1143 13859.203 -13859.203 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1900 2330.5769 -2029.1143 -2029.1143 13859.203 -13859.203 1910 2386.1233 -2033.1075 -2033.1075 14018.346 -14018.346 1920 2318.5336 -2028.9113 -2028.9113 13323.141 -13323.141 1930 2318.1419 -2029.0372 -2029.0372 11467.389 -11467.389 1940 2373.9655 -2032.7773 -2032.7773 11821.411 -11821.411 1950 2293.0247 -2027.4287 -2027.4287 14233.349 -14233.349 Loop time of 0.124213 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 1950 2293.0247 -2027.4287 -2027.4287 14233.349 -14233.349 1969 2293.0247 -2213.2565 -2213.2565 12350.865 -12350.865 Loop time of 0.0396991 on 1 procs for 19 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.428723 -2213.23816192 -2213.25647364 Force two-norm initial, final = 69.824 0.728571 Force max component initial, final = 5.73099 0.0742721 Final line search alpha, max atom move = 0.116144 0.00862627 Iterations, force evaluations = 19 32 Pair time (%) = 0.334961 (843.751) Neigh time (%) = 0.0027082 (6.82181) Comm time (%) = 0.00240088 (6.04768) Outpt time (%) = 0.00171208 (4.31265) Other time (%) = -0.302083 (-760.933) 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: 14254 ave 14254 max 14254 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14254 Ave neighs/atom = 27.8943 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 4.77839 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.2799 -2213.2799 -3383.5967 3383.5967 1960 1.0381574e-09 -2213.2799 -2213.2799 -3383.5968 3383.5968 1970 1.1382192e-08 -2213.2799 -2213.2799 -3383.598 3383.598 1980 5.5562815e-08 -2213.2799 -2213.2799 -3383.6034 3383.6034 1990 2.9825807e-07 -2213.2801 -2213.2801 -3383.633 3383.633 2000 1.166754e-06 -2213.2806 -2213.2806 -3383.7399 3383.7399 2010 5.4025521e-06 -2213.2832 -2213.2832 -3384.2608 3384.2608 2020 1.7532257e-05 -2213.2907 -2213.2907 -3385.805 3385.805 2030 3.4449575e-05 -2213.3044 -2213.3044 -3388.8127 3388.8127 2040 2.8696599e-05 -2213.3147 -2213.3147 -3386.7747 3386.7747 2050 3.8700616e-05 -2213.3304 -2213.3304 -3384.2881 3384.2881 2060 1.3718631e-05 -2213.3346 -2213.3346 -3382.062 3382.062 2070 1.1716571e-06 -2213.3353 -2213.3353 -3382.3667 3382.3667 2080 1.9738961e-06 -2213.3362 -2213.3362 -3382.9414 3382.9414 2090 7.8869034e-08 -2213.3368 -2213.3368 -3383.3167 3383.3167 2100 1.422155e-07 -2213.3371 -2213.3371 -3383.5351 3383.5351 2110 2.7497397e-07 -2213.3372 -2213.3372 -3383.5412 3383.5412 2120 1.3555968e-07 -2213.3373 -2213.3373 -3383.4115 3383.4115 2130 1.2655996e-08 -2213.3373 -2213.3373 -3383.429 3383.429 2140 2.0949935e-08 -2213.3373 -2213.3373 -3383.4101 3383.4101 2147 5.788959e-08 -2213.3374 -2213.3374 -3383.397 3383.397 Loop time of 0.194961 on 1 procs for 197 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27987891 -2213.33735565 -2213.33735973 Force two-norm initial, final = 1.09635 0.00760035 Force max component initial, final = 0.107427 0.000591045 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 197 197 Pair time (%) = 0.175469 (90.0021) Neigh time (%) = 0 (0) Comm time (%) = 0.00159168 (0.816411) Outpt time (%) = 0.00131178 (0.672842) Other time (%) = 0.0165884 (8.50861) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2147 0 -2213.3374 -2213.3374 -3383.397 3383.397 2148 4.0456963e-16 -2213.3374 -2213.3374 -3383.397 3383.397 Loop time of 0.00213408 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735973 -2213.33735973 -2213.33735973 Force two-norm initial, final = 0.00760035 0.00760035 Force max component initial, final = 0.000591045 0.000591045 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186801 (87.5321) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.74852) Outpt time (%) = 0 (0) Other time (%) = 0.000250101 (11.7194) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 1950 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 1960 2400.3962 -2027.7707 -2027.7707 15362.094 -15362.094 1970 2416.8675 -2028.8232 -2028.8232 14997.324 -14997.324 1980 2417.9366 -2028.8796 -2028.8796 13889.505 -13889.505 1990 2382.1743 -2026.5253 -2026.5253 13526.516 -13526.516 2000 2375.3325 -2026.0551 -2026.0551 14328.201 -14328.201 Loop time of 0.123164 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2000 2375.3325 -2026.0551 -2026.0551 14328.201 -14328.201 2020 2375.3325 -2213.2902 -2213.2902 12919.308 -12919.308 Loop time of 0.0414689 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.05508125 -2213.26923542 -2213.2902385 Force two-norm initial, final = 69.3767 0.448253 Force max component initial, final = 7.15832 0.0537995 Final line search alpha, max atom move = 0.0625 0.00336247 Iterations, force evaluations = 20 34 Pair time (%) = 0.160563 (387.189) Neigh time (%) = 0.00332689 (8.02263) Comm time (%) = 0.000814438 (1.96397) Outpt time (%) = 0.000329256 (0.793984) Other time (%) = -0.123565 (-297.97) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.2799 -2213.2799 -3383.5967 3383.5967 2010 1.0381571e-09 -2213.2799 -2213.2799 -3383.5968 3383.5968 2020 1.1382144e-08 -2213.2799 -2213.2799 -3383.598 3383.598 2030 5.5561117e-08 -2213.2799 -2213.2799 -3383.6034 3383.6034 2040 2.9821606e-07 -2213.2801 -2213.2801 -3383.633 3383.633 2050 1.1659143e-06 -2213.2806 -2213.2806 -3383.7398 3383.7398 2060 5.3868331e-06 -2213.2832 -2213.2832 -3384.2602 3384.2602 2070 1.7269574e-05 -2213.2906 -2213.2906 -3385.7974 3385.7974 2080 3.275708e-05 -2213.3043 -2213.3043 -3388.8019 3388.8019 2090 2.9562849e-05 -2213.3146 -2213.3146 -3386.771 3386.771 2100 4.169359e-05 -2213.3306 -2213.3306 -3383.8692 3383.8692 2110 1.63991e-05 -2213.3346 -2213.3346 -3382.0335 3382.0335 2120 1.4965008e-06 -2213.3354 -2213.3354 -3382.2865 3382.2865 2130 2.2478312e-06 -2213.3362 -2213.3362 -3382.8627 3382.8627 2140 7.9888951e-07 -2213.3369 -2213.3369 -3383.4255 3383.4255 2150 7.2364742e-08 -2213.337 -2213.337 -3383.2913 3383.2913 2160 2.3748073e-07 -2213.3371 -2213.3371 -3383.2828 3383.2828 2170 6.5168045e-09 -2213.3373 -2213.3373 -3383.3803 3383.3803 2180 3.2079435e-09 -2213.3373 -2213.3373 -3383.4321 3383.4321 Loop time of 0.175265 on 1 procs for 180 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27987891 -2213.33733486 -2213.33733535 Force two-norm initial, final = 1.09635 0.00946792 Force max component initial, final = 0.107427 0.000766604 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 180 180 Pair time (%) = 0.160015 (91.2989) Neigh time (%) = 0 (0) Comm time (%) = 0.00144196 (0.822728) Outpt time (%) = 0.00114393 (0.652687) Other time (%) = 0.0126641 (7.22567) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2180 0 -2213.3373 -2213.3373 -3383.4321 3383.4321 2181 6.2782096e-16 -2213.3373 -2213.3373 -3383.4321 3383.4321 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 = -2213.33733535 -2213.33733535 -2213.33733535 Force two-norm initial, final = 0.00946792 0.00946792 Force max component initial, final = 0.000766604 0.000766604 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186014 (89.6885) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.827681) Outpt time (%) = 0 (0) Other time (%) = 0.000196695 (9.48385) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2000 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2010 2400.1898 -2027.773 -2027.773 15360.268 -15360.268 2020 2416.564 -2028.8343 -2028.8343 14993.652 -14993.652 2030 2417.5428 -2028.8988 -2028.8988 13884.891 -13884.891 2040 2381.7033 -2026.5516 -2026.5516 13521.77 -13521.77 2050 2374.8563 -2026.0912 -2026.0912 14323.284 -14323.284 Loop time of 0.123472 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2050 2374.8563 -2026.0912 -2026.0912 14323.284 -14323.284 2070 2374.8563 -2213.29 -2213.29 12916.857 -12916.857 Loop time of 0.0414779 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.09120484 -2213.26876411 -2213.29001156 Force two-norm initial, final = 69.3705 0.458918 Force max component initial, final = 7.1575 0.0754693 Final line search alpha, max atom move = 0.0565998 0.00427155 Iterations, force evaluations = 20 34 Pair time (%) = 0.160844 (387.782) Neigh time (%) = 0.00335789 (8.0956) Comm time (%) = 0.000824213 (1.98711) Outpt time (%) = 0.000333071 (0.803007) Other time (%) = -0.123881 (-298.668) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2799 -2213.2799 -3383.5967 3383.5967 2060 1.038157e-09 -2213.2799 -2213.2799 -3383.5968 3383.5968 2070 1.1382136e-08 -2213.2799 -2213.2799 -3383.598 3383.598 2080 5.5560822e-08 -2213.2799 -2213.2799 -3383.6034 3383.6034 2090 2.9820877e-07 -2213.2801 -2213.2801 -3383.633 3383.633 2100 1.1657695e-06 -2213.2806 -2213.2806 -3383.7398 3383.7398 2110 5.3842042e-06 -2213.2832 -2213.2832 -3384.2601 3384.2601 2120 1.7231858e-05 -2213.2906 -2213.2906 -3385.7963 3385.7963 2130 3.2800108e-05 -2213.3043 -2213.3043 -3388.8002 3388.8002 2140 2.9504359e-05 -2213.3147 -2213.3147 -3386.7544 3386.7544 2150 4.1301849e-05 -2213.3306 -2213.3306 -3383.9176 3383.9176 2160 1.6131729e-05 -2213.3346 -2213.3346 -3382.0358 3382.0358 2170 1.4825184e-06 -2213.3354 -2213.3354 -3382.2925 3382.2925 2180 2.2317604e-06 -2213.3362 -2213.3362 -3382.8701 3382.8701 2190 7.8347764e-07 -2213.3369 -2213.3369 -3383.4263 3383.4263 2200 7.1543356e-08 -2213.337 -2213.337 -3383.2943 3383.2943 2210 2.3853478e-07 -2213.3371 -2213.3371 -3383.283 3383.283 2220 5.0379993e-09 -2213.3373 -2213.3373 -3383.3911 3383.3911 2230 9.7072309e-09 -2213.3373 -2213.3373 -3383.4383 3383.4383 2240 1.5168102e-08 -2213.3373 -2213.3373 -3383.4053 3383.4053 2243 3.0741815e-08 -2213.3373 -2213.3373 -3383.4107 3383.4107 Loop time of 0.18939 on 1 procs for 193 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27987891 -2213.3373446 -2213.33734704 Force two-norm initial, final = 1.09635 0.00736475 Force max component initial, final = 0.107427 0.000557859 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 193 193 Pair time (%) = 0.171663 (90.6398) Neigh time (%) = 0 (0) Comm time (%) = 0.00155878 (0.823053) Outpt time (%) = 0.00129104 (0.681681) Other time (%) = 0.0148776 (7.85551) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2243 0 -2213.3373 -2213.3373 -3383.4107 3383.4107 2244 3.7987647e-16 -2213.3373 -2213.3373 -3383.4107 3383.4107 Loop time of 0.00212502 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734704 -2213.33734704 -2213.33734704 Force two-norm initial, final = 0.00736475 0.00736475 Force max component initial, final = 0.000557859 0.000557859 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187087 (88.0399) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.695613) Outpt time (%) = 0 (0) Other time (%) = 0.000239372 (11.2644) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 1950 2293.0247 -2027.4287 -2027.4287 14233.349 -14233.349 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1950 2293.0247 -2027.4287 -2027.4287 14233.349 -14233.349 1960 2300.0331 -2027.7945 -2027.7945 14226.632 -14226.632 1970 2455.4983 -2037.8638 -2037.8638 14551.019 -14551.019 1980 2507.082 -2041.1655 -2041.1655 15111.17 -15111.17 1990 2363.0795 -2031.67 -2031.67 16304.241 -16304.241 2000 2362.8664 -2031.6502 -2031.6502 15501.034 -15501.034 Loop time of 0.122342 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2000 2362.8664 -2031.6502 -2031.6502 15501.034 -15501.034 2021 2362.8664 -2213.2798 -2213.2798 12839.099 -12839.099 Loop time of 0.0521381 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2031.65019104 -2213.25849858 -2213.27981778 Force two-norm initial, final = 69.5086 0.442343 Force max component initial, final = 6.3003 0.046303 Final line search alpha, max atom move = 0.0625 0.00289393 Iterations, force evaluations = 21 46 Pair time (%) = 0.170954 (327.887) Neigh time (%) = 0.00264692 (5.07675) Comm time (%) = 0.000879526 (1.68692) Outpt time (%) = 0.000330925 (0.634709) Other time (%) = -0.122674 (-235.286) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.2565 -2213.2565 -3397.7829 3397.7829 2010 4.5847101e-10 -2213.2565 -2213.2565 -3397.7828 3397.7828 2020 5.026686e-09 -2213.2565 -2213.2565 -3397.782 3397.782 2030 2.4539827e-08 -2213.2565 -2213.2565 -3397.7786 3397.7786 2040 1.3178162e-07 -2213.2566 -2213.2566 -3397.7598 3397.7598 2050 5.1626655e-07 -2213.2568 -2213.2568 -3397.6912 3397.6912 2060 2.4088628e-06 -2213.2579 -2213.2579 -3397.3405 3397.3405 2070 8.0382135e-06 -2213.2614 -2213.2614 -3396.0937 3396.0937 2080 2.0313987e-05 -2213.2702 -2213.2702 -3390.4869 3390.4869 2090 3.5310658e-05 -2213.2841 -2213.2841 -3388.5985 3388.5985 2100 8.283289e-05 -2213.3212 -2213.3212 -3382.5162 3382.5162 2110 4.0266715e-06 -2213.3333 -2213.3333 -3379.75 3379.75 2120 1.290595e-06 -2213.3366 -2213.3366 -3383.3998 3383.3998 2130 1.0471954e-07 -2213.3367 -2213.3367 -3383.3657 3383.3657 2140 3.61988e-07 -2213.3369 -2213.3369 -3383.2341 3383.2341 2150 6.0850547e-07 -2213.3372 -2213.3372 -3383.1593 3383.1593 2160 1.650873e-09 -2213.3373 -2213.3373 -3383.3702 3383.3702 2170 1.6050754e-08 -2213.3373 -2213.3373 -3383.4375 3383.4375 2174 3.7997451e-08 -2213.3373 -2213.3373 -3383.4308 3383.4308 Loop time of 0.168255 on 1 procs for 174 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25647364 -2213.33734403 -2213.3373482 Force two-norm initial, final = 0.728571 0.00800401 Force max component initial, final = 0.0742721 0.000718588 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.154706 (91.9472) Neigh time (%) = 0 (0) Comm time (%) = 0.00143385 (0.852188) Outpt time (%) = 0.0011487 (0.682714) Other time (%) = 0.0109668 (6.51795) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2174 0 -2213.3373 -2213.3373 -3383.4308 3383.4308 2175 4.4868499e-16 -2213.3373 -2213.3373 -3383.4308 3383.4308 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 = -2213.3373482 -2213.3373482 -2213.3373482 Force two-norm initial, final = 0.00800401 0.00800401 Force max component initial, final = 0.000718588 0.000718588 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186205 (89.7804) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.827681) Outpt time (%) = 0 (0) Other time (%) = 0.000194788 (9.39188) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2000 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2010 2400.2431 -2027.7722 -2027.7722 15360.769 -15360.769 2020 2416.597 -2028.8316 -2028.8316 14994.246 -14994.246 2030 2417.5641 -2028.8963 -2028.8963 13885.17 -13885.17 2040 2381.7343 -2026.5496 -2026.5496 13521.836 -13521.836 2050 2374.8798 -2026.088 -2026.088 14323.437 -14323.437 Loop time of 0.122934 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2050 2374.8798 -2026.088 -2026.088 14323.437 -14323.437 2070 2374.8798 -2213.2902 -2213.2902 12916.783 -12916.783 Loop time of 0.041471 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.08804744 -2213.26883404 -2213.29017544 Force two-norm initial, final = 69.3709 0.457325 Force max component initial, final = 7.15756 0.0722144 Final line search alpha, max atom move = 0.0576955 0.00416645 Iterations, force evaluations = 20 34 Pair time (%) = 0.160329 (386.605) Neigh time (%) = 0.0033319 (8.03429) Comm time (%) = 0.000814199 (1.9633) Outpt time (%) = 0.00033927 (0.818089) Other time (%) = -0.123343 (-297.421) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2565 -2213.2565 -3397.7829 3397.7829 2060 4.5847098e-10 -2213.2565 -2213.2565 -3397.7828 3397.7828 2070 5.0266799e-09 -2213.2565 -2213.2565 -3397.782 3397.782 2080 2.4539611e-08 -2213.2565 -2213.2565 -3397.7786 3397.7786 2090 1.3177628e-07 -2213.2566 -2213.2566 -3397.7598 3397.7598 2100 5.161599e-07 -2213.2568 -2213.2568 -3397.6913 3397.6913 2110 2.4068685e-06 -2213.2579 -2213.2579 -3397.3406 3397.3406 2120 8.0052656e-06 -2213.2614 -2213.2614 -3396.0956 3396.0956 2130 2.0108998e-05 -2213.2702 -2213.2702 -3390.5131 3390.5131 2140 3.6251626e-05 -2213.2841 -2213.2841 -3388.6617 3388.6617 2150 8.7349525e-05 -2213.322 -2213.322 -3382.7187 3382.7187 2160 5.8041289e-06 -2213.3359 -2213.3359 -3383.7874 3383.7874 2170 3.2409514e-07 -2213.3361 -2213.3361 -3383.4114 3383.4114 2180 8.0165405e-07 -2213.3365 -2213.3365 -3383.3464 3383.3464 2190 1.9704515e-08 -2213.3371 -2213.3371 -3383.7976 3383.7976 2200 2.6704184e-08 -2213.3372 -2213.3372 -3383.3683 3383.3683 2210 1.1448863e-07 -2213.3373 -2213.3373 -3383.3287 3383.3287 2220 2.5379176e-08 -2213.3373 -2213.3373 -3383.463 3383.463 2221 2.9872913e-08 -2213.3373 -2213.3373 -3383.4185 3383.4185 Loop time of 0.166326 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25647364 -2213.33733621 -2213.33733823 Force two-norm initial, final = 0.728571 0.00807355 Force max component initial, final = 0.0742721 0.000673506 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.151996 (91.3842) Neigh time (%) = 0 (0) Comm time (%) = 0.00137854 (0.828816) Outpt time (%) = 0.00113368 (0.681601) Other time (%) = 0.0118182 (7.10542) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2221 0 -2213.3373 -2213.3373 -3383.4185 3383.4185 2222 4.5651537e-16 -2213.3373 -2213.3373 -3383.4185 3383.4185 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 = -2213.33733823 -2213.33733823 -2213.33733823 Force two-norm initial, final = 0.00807355 0.00807355 Force max component initial, final = 0.000673506 0.000673506 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186491 (90.4382) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.73997) Outpt time (%) = 0 (0) Other time (%) = 0.000181913 (8.82183) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2050 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2060 2400.0608 -2027.7744 -2027.7744 15359.132 -15359.132 2070 2416.3695 -2028.8412 -2028.8412 14991.319 -14991.319 2080 2417.2935 -2028.911 -2028.911 13881.951 -13881.951 2090 2381.4038 -2026.5682 -2026.5682 13518.748 -13518.748 2100 2374.5485 -2026.1141 -2026.1141 14320.119 -14320.119 Loop time of 0.122899 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2100 2374.5485 -2026.1141 -2026.1141 14320.119 -14320.119 2120 2374.5485 -2213.2888 -2213.2888 12916.272 -12916.272 Loop time of 0.0416689 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.11414338 -2213.26827303 -2213.28880437 Force two-norm initial, final = 69.3665 0.481723 Force max component initial, final = 7.15697 0.0941874 Final line search alpha, max atom move = 0.0508178 0.0047864 Iterations, force evaluations = 20 34 Pair time (%) = 0.160465 (385.095) Neigh time (%) = 0.00334907 (8.03733) Comm time (%) = 0.000825167 (1.98029) Outpt time (%) = 0.000327826 (0.786739) Other time (%) = -0.123298 (-295.9) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.2565 -2213.2565 -3397.7829 3397.7829 2110 4.5847096e-10 -2213.2565 -2213.2565 -3397.7828 3397.7828 2120 5.0266769e-09 -2213.2565 -2213.2565 -3397.782 3397.782 2130 2.4539502e-08 -2213.2565 -2213.2565 -3397.7786 3397.7786 2140 1.3177359e-07 -2213.2566 -2213.2566 -3397.7598 3397.7598 2150 5.1610662e-07 -2213.2568 -2213.2568 -3397.6913 3397.6913 2160 2.4059002e-06 -2213.2579 -2213.2579 -3397.3407 3397.3407 2170 7.9912417e-06 -2213.2614 -2213.2614 -3396.0965 3396.0965 2180 2.0107633e-05 -2213.2702 -2213.2702 -3390.5199 3390.5199 2190 3.6538169e-05 -2213.2842 -2213.2842 -3388.6813 3388.6813 2200 8.7372472e-05 -2213.3221 -2213.3221 -3382.7662 3382.7662 2210 5.7858714e-06 -2213.3359 -2213.3359 -3383.7649 3383.7649 2220 1.2170281e-06 -2213.3362 -2213.3362 -3383.3152 3383.3152 2230 1.2013307e-06 -2213.3365 -2213.3365 -3383.5003 3383.5003 2240 4.6820622e-07 -2213.3369 -2213.3369 -3382.7786 3382.7786 2250 7.5774667e-08 -2213.337 -2213.337 -3383.5726 3383.5726 2260 2.3535595e-07 -2213.3371 -2213.3371 -3383.4505 3383.4505 2270 5.798484e-07 -2213.3373 -2213.3373 -3383.6308 3383.6308 2274 6.244761e-08 -2213.3373 -2213.3373 -3383.445 3383.445 Loop time of 0.172787 on 1 procs for 174 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25647364 -2213.33733409 -2213.33734135 Force two-norm initial, final = 0.728571 0.00947767 Force max component initial, final = 0.0742721 0.000962749 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.155218 (89.8322) Neigh time (%) = 0 (0) Comm time (%) = 0.00140882 (0.815348) Outpt time (%) = 0.00116396 (0.673639) Other time (%) = 0.0149958 (8.67879) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2274 0 -2213.3373 -2213.3373 -3383.445 3383.445 2280 2.2648106e-14 -2213.3373 -2213.3373 -3383.445 3383.445 2290 3.4834398e-13 -2213.3373 -2213.3373 -3383.445 3383.445 2300 2.2597552e-12 -2213.3373 -2213.3373 -3383.445 3383.445 2310 1.114891e-11 -2213.3373 -2213.3373 -3383.4449 3383.4449 2320 5.1016302e-11 -2213.3373 -2213.3373 -3383.4445 3383.4445 2330 2.1677661e-10 -2213.3373 -2213.3373 -3383.443 3383.443 2340 8.9008504e-10 -2213.3373 -2213.3373 -3383.4369 3383.4369 2342 1.1313236e-09 -2213.3373 -2213.3373 -3383.4347 3383.4347 Loop time of 0.0679119 on 1 procs for 68 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734135 -2213.33734197 -2213.33734205 Force two-norm initial, final = 0.00947767 0.00859828 Force max component initial, final = 0.000962749 0.000826708 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 68 68 Pair time (%) = 0.0612743 (90.2262) Neigh time (%) = 0 (0) Comm time (%) = 0.000558615 (0.822558) Outpt time (%) = 0.000475883 (0.700737) Other time (%) = 0.00560308 (8.25051) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2000 2362.8664 -2031.6502 -2031.6502 15501.034 -15501.034 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 2362.8664 -2031.6502 -2031.6502 15501.034 -15501.034 2010 2409.2352 -2034.6764 -2034.6764 14624.806 -14624.806 2020 2402.5627 -2034.221 -2034.221 14088.058 -14088.058 2030 2315.7207 -2028.451 -2028.451 15229.751 -15229.751 2040 2325.3678 -2028.9845 -2028.9845 13918.476 -13918.476 2050 2250.442 -2023.802 -2023.802 12955.324 -12955.324 Loop time of 0.123916 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2050 2250.442 -2023.802 -2023.802 12955.324 -12955.324 2070 2250.442 -2213.2721 -2213.2721 12069.702 -12069.702 Loop time of 0.050539 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2023.80198713 -2213.25373548 -2213.27206669 Force two-norm initial, final = 70.2811 0.38224 Force max component initial, final = 5.8956 0.0342368 Final line search alpha, max atom move = 0.0625 0.0021398 Iterations, force evaluations = 20 43 Pair time (%) = 0.229625 (454.352) Neigh time (%) = 0.00330544 (6.54036) Comm time (%) = 0.00144291 (2.85504) Outpt time (%) = 0.000818253 (1.61905) Other time (%) = -0.184653 (-365.366) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2798 -2213.2798 -3389.2266 3389.2266 2060 1.6900025e-10 -2213.2798 -2213.2798 -3389.2266 3389.2266 2070 1.8529676e-09 -2213.2798 -2213.2798 -3389.2266 3389.2266 2080 9.0469986e-09 -2213.2798 -2213.2798 -3389.2269 3389.2269 2090 4.8612581e-08 -2213.2798 -2213.2798 -3389.2284 3389.2284 2100 1.9086108e-07 -2213.2799 -2213.2799 -3389.2338 3389.2338 2110 9.0080701e-07 -2213.2804 -2213.2804 -3389.259 3389.259 2120 3.1406973e-06 -2213.2818 -2213.2818 -3389.3189 3389.3189 2130 1.0738162e-05 -2213.2867 -2213.2867 -3389.1859 3389.1859 2140 2.6275731e-05 -2213.2976 -2213.2976 -3387.73 3387.73 2150 6.7713563e-05 -2213.326 -2213.326 -3384.1962 3384.1962 2160 1.2735184e-06 -2213.3367 -2213.3367 -3383.0822 3383.0822 2170 1.1943094e-07 -2213.337 -2213.337 -3383.4014 3383.4014 2180 2.9143651e-07 -2213.3372 -2213.3372 -3383.4552 3383.4552 2190 1.8018702e-08 -2213.3373 -2213.3373 -3383.7263 3383.7263 2200 3.6279029e-08 -2213.3374 -2213.3374 -3383.3516 3383.3516 2210 4.9774242e-09 -2213.3374 -2213.3374 -3383.4686 3383.4686 2211 6.0008988e-09 -2213.3374 -2213.3374 -3383.4556 3383.4556 Loop time of 0.16148 on 1 procs for 161 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27981778 -2213.33737527 -2213.33737588 Force two-norm initial, final = 0.442343 0.00821885 Force max component initial, final = 0.046303 0.000681841 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 161 161 Pair time (%) = 0.143881 (89.1015) Neigh time (%) = 0 (0) Comm time (%) = 0.00130844 (0.810281) Outpt time (%) = 0.00107479 (0.665588) Other time (%) = 0.0152156 (9.42262) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2211 0 -2213.3374 -2213.3374 -3383.4556 3383.4556 2212 4.7309525e-16 -2213.3374 -2213.3374 -3383.4556 3383.4556 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 = -2213.33737588 -2213.33737588 -2213.33737588 Force two-norm initial, final = 0.00821885 0.00821885 Force max component initial, final = 0.000681841 0.000681841 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (89.7027) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.826541) Outpt time (%) = 0 (0) Other time (%) = 0.000196695 (9.47078) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2050 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2060 2403.8429 -2027.7324 -2027.7324 15392.529 -15392.529 2070 2422.0943 -2028.6376 -2028.6376 15059.893 -15059.893 2080 2424.9659 -2028.5491 -2028.5491 13971.057 -13971.057 2090 2391.0266 -2026.0577 -2026.0577 13616.145 -13616.145 2100 2384.9607 -2025.3894 -2025.3894 14429.017 -14429.017 Loop time of 0.123546 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2100 2384.9607 -2025.3894 -2025.3894 14429.017 -14429.017 2121 2384.9607 -2213.2998 -2213.2998 12992.24 -12992.24 Loop time of 0.0442801 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.38936107 -2213.28655768 -2213.29978928 Force two-norm initial, final = 69.4962 0.501882 Force max component initial, final = 7.17405 0.0831585 Final line search alpha, max atom move = 0.0900025 0.00748447 Iterations, force evaluations = 21 37 Pair time (%) = 0.163603 (369.474) Neigh time (%) = 0.0033648 (7.59891) Comm time (%) = 0.00084734 (1.91359) Outpt time (%) = 0.000333071 (0.752191) Other time (%) = -0.123868 (-279.738) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.2798 -2213.2798 -3389.2266 3389.2266 2110 1.6900037e-10 -2213.2798 -2213.2798 -3389.2266 3389.2266 2120 1.8529861e-09 -2213.2798 -2213.2798 -3389.2266 3389.2266 2130 9.0476597e-09 -2213.2798 -2213.2798 -3389.2269 3389.2269 2140 4.8628947e-08 -2213.2798 -2213.2798 -3389.2284 3389.2284 2150 1.9118869e-07 -2213.2799 -2213.2799 -3389.2338 3389.2338 2160 9.0698954e-07 -2213.2804 -2213.2804 -3389.2591 3389.2591 2170 3.2472598e-06 -2213.2818 -2213.2818 -3389.3194 3389.3194 2180 1.1991366e-05 -2213.2869 -2213.2869 -3389.166 3389.166 2190 2.7586261e-05 -2213.2982 -2213.2982 -3387.6543 3387.6543 2200 6.2851662e-05 -2213.3261 -2213.3261 -3384.1769 3384.1769 2210 9.8779149e-07 -2213.3367 -2213.3367 -3382.6029 3382.6029 2220 1.365031e-07 -2213.3371 -2213.3371 -3383.3243 3383.3243 2230 3.467619e-07 -2213.3373 -2213.3373 -3383.386 3383.386 2240 1.3358918e-08 -2213.3373 -2213.3373 -3383.3857 3383.3857 2250 1.3714322e-08 -2213.3374 -2213.3374 -3383.4523 3383.4523 2259 3.4055536e-08 -2213.3374 -2213.3374 -3383.3914 3383.3914 Loop time of 0.157412 on 1 procs for 159 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27981778 -2213.33737349 -2213.33737676 Force two-norm initial, final = 0.442343 0.00696269 Force max component initial, final = 0.046303 0.000699804 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 159 159 Pair time (%) = 0.141752 (90.0517) Neigh time (%) = 0 (0) Comm time (%) = 0.00131774 (0.837127) Outpt time (%) = 0.00101471 (0.64462) Other time (%) = 0.0133274 (8.46654) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2259 0 -2213.3374 -2213.3374 -3383.3914 3383.3914 2260 3.3953162e-16 -2213.3374 -2213.3374 -3383.3914 3383.3914 Loop time of 0.00220323 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737676 -2213.33737676 -2213.33737676 Force two-norm initial, final = 0.00696269 0.00696269 Force max component initial, final = 0.000699804 0.000699804 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00199699 (90.6395) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.768315) Outpt time (%) = 0 (0) Other time (%) = 0.000189304 (8.59214) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2100 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2110 2403.537 -2027.7363 -2027.7363 15389.741 -15389.741 2120 2421.8017 -2028.6533 -2028.6533 15055.673 -15055.673 2130 2424.769 -2028.5686 -2028.5686 13968.193 -13968.193 2140 2391.0061 -2026.073 -2026.073 13616.639 -13616.639 2150 2385.3126 -2025.3992 -2025.3992 14433.496 -14433.496 Loop time of 0.123354 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2150 2385.3126 -2025.3992 -2025.3992 14433.496 -14433.496 2171 2385.3126 -2213.2996 -2213.2996 12998.792 -12998.792 Loop time of 0.0450141 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.39919699 -2213.29040529 -2213.29958221 Force two-norm initial, final = 69.4977 0.539455 Force max component initial, final = 7.17415 0.0621745 Final line search alpha, max atom move = 0.0625 0.0038859 Iterations, force evaluations = 21 38 Pair time (%) = 0.16432 (365.042) Neigh time (%) = 0.00334477 (7.4305) Comm time (%) = 0.000859976 (1.91046) Outpt time (%) = 0.000341177 (0.757933) Other time (%) = -0.123852 (-275.141) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.2798 -2213.2798 -3389.2266 3389.2266 2160 1.6900042e-10 -2213.2798 -2213.2798 -3389.2266 3389.2266 2170 1.8529943e-09 -2213.2798 -2213.2798 -3389.2266 3389.2266 2180 9.0479499e-09 -2213.2798 -2213.2798 -3389.2269 3389.2269 2190 4.8636131e-08 -2213.2798 -2213.2798 -3389.2284 3389.2284 2200 1.9133236e-07 -2213.2799 -2213.2799 -3389.2338 3389.2338 2210 9.096879e-07 -2213.2804 -2213.2804 -3389.2591 3389.2591 2220 3.2924147e-06 -2213.2818 -2213.2818 -3389.3196 3389.3196 2230 1.223854e-05 -2213.287 -2213.287 -3389.1604 3389.1604 2240 2.7402302e-05 -2213.2982 -2213.2982 -3387.6607 3387.6607 2250 6.1318691e-05 -2213.3259 -2213.3259 -3384.2345 3384.2345 2260 1.4932058e-06 -2213.336 -2213.336 -3383.3259 3383.3259 2270 2.5495821e-07 -2213.3362 -2213.3362 -3383.2988 3383.2988 2280 7.8366655e-07 -2213.3366 -2213.3366 -3383.3694 3383.3694 2290 1.1909087e-06 -2213.3372 -2213.3372 -3383.1559 3383.1559 2300 1.5213089e-08 -2213.3373 -2213.3373 -3383.4676 3383.4676 2310 1.3040326e-07 -2213.3373 -2213.3373 -3383.4488 3383.4488 2317 1.8588558e-09 -2213.3374 -2213.3374 -3383.3954 3383.3954 Loop time of 0.163386 on 1 procs for 167 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27981778 -2213.33734965 -2213.33735007 Force two-norm initial, final = 0.442343 0.00731504 Force max component initial, final = 0.046303 0.000590631 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 167 167 Pair time (%) = 0.148309 (90.7724) Neigh time (%) = 0 (0) Comm time (%) = 0.00134015 (0.820235) Outpt time (%) = 0.00107718 (0.659282) Other time (%) = 0.0126593 (7.7481) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2317 0 -2213.3374 -2213.3374 -3383.3954 3383.3954 2318 3.7476585e-16 -2213.3374 -2213.3374 -3383.3954 3383.3954 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 = -2213.33735007 -2213.33735007 -2213.33735007 Force two-norm initial, final = 0.00731504 0.00731504 Force max component initial, final = 0.000590631 0.000590631 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186396 (89.7898) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.815436) Outpt time (%) = 0 (0) Other time (%) = 0.000195026 (9.39474) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2050 2250.442 -2023.802 -2023.802 12955.324 -12955.324 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 2250.442 -2023.802 -2023.802 12955.324 -12955.324 2060 2322.3824 -2028.1449 -2028.1449 11959.605 -11959.605 2070 2355.1093 -2029.7148 -2029.7148 13402.637 -13402.637 2080 2352.859 -2028.8575 -2028.8575 15126.587 -15126.587 2090 2335.2325 -2026.8255 -2026.8255 16333.123 -16333.123 2100 2385.5796 -2029.0991 -2029.0991 15985.578 -15985.578 Loop time of 0.123085 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2100 2385.5796 -2029.0991 -2029.0991 15985.578 -15985.578 2122 2385.5796 -2213.292 -2213.292 12997.144 -12997.144 Loop time of 0.055918 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2029.09912556 -2213.27505205 -2213.29197462 Force two-norm initial, final = 69.3124 0.371787 Force max component initial, final = 5.40145 0.0378451 Final line search alpha, max atom move = 0.0625 0.00236532 Iterations, force evaluations = 22 50 Pair time (%) = 0.175393 (313.661) Neigh time (%) = 0.00265193 (4.74254) Comm time (%) = 0.0008986 (1.607) Outpt time (%) = 0.000331163 (0.592231) Other time (%) = -0.123356 (-220.602) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.2721 -2213.2721 -3386.4848 3386.4848 2110 1.2619499e-10 -2213.2721 -2213.2721 -3386.4848 3386.4848 2120 1.3836801e-09 -2213.2721 -2213.2721 -3386.485 3386.485 2130 6.7567723e-09 -2213.2721 -2213.2721 -3386.4858 3386.4858 2140 3.633451e-08 -2213.2721 -2213.2721 -3386.49 3386.49 2150 1.4311138e-07 -2213.2722 -2213.2722 -3386.5052 3386.5052 2160 6.8527463e-07 -2213.2725 -2213.2725 -3386.5807 3386.5807 2170 2.5270196e-06 -2213.2736 -2213.2736 -3386.8186 3386.8186 2180 1.0582488e-05 -2213.2785 -2213.2785 -3387.4858 3387.4858 2190 3.1217564e-05 -2213.2915 -2213.2915 -3386.386 3386.386 2200 8.0095033e-05 -2213.3254 -2213.3254 -3385.0193 3385.0193 2210 6.3240884e-07 -2213.3358 -2213.3358 -3384.0136 3384.0136 2220 2.5669314e-07 -2213.3362 -2213.3362 -3384.251 3384.251 2230 1.1665049e-06 -2213.3368 -2213.3368 -3383.9765 3383.9765 2240 9.3653305e-09 -2213.3373 -2213.3373 -3383.3043 3383.3043 2250 9.534543e-09 -2213.3374 -2213.3374 -3383.2591 3383.2591 2260 3.550132e-08 -2213.3374 -2213.3374 -3383.312 3383.312 2267 1.7021365e-09 -2213.3374 -2213.3374 -3383.3813 3383.3813 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 = -2213.27206669 -2213.33737979 -2213.33738014 Force two-norm initial, final = 0.38224 0.00605238 Force max component initial, final = 0.0342368 0.000493678 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 167 167 Pair time (%) = 0.148478 (91.9487) Neigh time (%) = 0 (0) Comm time (%) = 0.00133395 (0.826084) Outpt time (%) = 0.00107241 (0.664115) Other time (%) = 0.0105948 (6.56113) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2267 0 -2213.3374 -2213.3374 -3383.3813 3383.3813 2268 2.5655389e-16 -2213.3374 -2213.3374 -3383.3813 3383.3813 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 = -2213.33738014 -2213.33738014 -2213.33738014 Force two-norm initial, final = 0.00605238 0.00605238 Force max component initial, final = 0.000493678 0.000493678 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018611 (89.7757) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.759057) Outpt time (%) = 0 (0) Other time (%) = 0.000196218 (9.46521) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2100 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2110 2415.725 -2027.6055 -2027.6055 15496.569 -15496.569 2120 2441.7261 -2027.9894 -2027.9894 15288.321 -15288.321 2130 2452.9587 -2027.3177 -2027.3177 14291.578 -14291.578 2140 2427.8401 -2024.2163 -2024.2163 13996.297 -13996.297 2150 2426.9839 -2022.6895 -2022.6895 14879.153 -14879.153 Loop time of 0.123032 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2150 2426.9839 -2022.6895 -2022.6895 14879.153 -14879.153 2174 2426.9839 -2213.2897 -2213.2897 13280.606 -13280.606 Loop time of 0.0559208 on 1 procs for 24 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2022.68951782 -2213.2795801 -2213.28972971 Force two-norm initial, final = 69.9986 0.295984 Force max component initial, final = 7.23922 0.0346455 Final line search alpha, max atom move = 0.046834 0.00162259 Iterations, force evaluations = 24 50 Pair time (%) = 0.174608 (312.241) Neigh time (%) = 0.003335 (5.96379) Comm time (%) = 0.000941277 (1.68323) Outpt time (%) = 0.000324726 (0.580689) Other time (%) = -0.123288 (-220.469) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.2721 -2213.2721 -3386.4848 3386.4848 2160 1.2619496e-10 -2213.2721 -2213.2721 -3386.4848 3386.4848 2170 1.3836764e-09 -2213.2721 -2213.2721 -3386.485 3386.485 2180 6.7566411e-09 -2213.2721 -2213.2721 -3386.4858 3386.4858 2190 3.6331265e-08 -2213.2721 -2213.2721 -3386.49 3386.49 2200 1.4304678e-07 -2213.2722 -2213.2722 -3386.5052 3386.5052 2210 6.8408453e-07 -2213.2725 -2213.2725 -3386.5806 3386.5806 2220 2.5085262e-06 -2213.2736 -2213.2736 -3386.818 3386.818 2230 1.0434866e-05 -2213.2785 -2213.2785 -3387.4836 3387.4836 2240 3.0748378e-05 -2213.2914 -2213.2914 -3386.4006 3386.4006 2250 8.016467e-05 -2213.3251 -2213.3251 -3385.0227 3385.0227 2260 4.7134156e-07 -2213.3363 -2213.3363 -3384.162 3384.162 2270 3.6310345e-08 -2213.337 -2213.337 -3383.3793 3383.3793 2280 2.0526498e-08 -2213.3371 -2213.3371 -3383.9189 3383.9189 2290 1.6362991e-07 -2213.3372 -2213.3372 -3383.5548 3383.5548 2300 3.245315e-07 -2213.3374 -2213.3374 -3383.2409 3383.2409 2307 3.4301155e-08 -2213.3374 -2213.3374 -3383.3637 3383.3637 Loop time of 0.152831 on 1 procs for 157 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27206669 -2213.33737956 -2213.3373831 Force two-norm initial, final = 0.38224 0.0045992 Force max component initial, final = 0.0342368 0.000452207 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 157 157 Pair time (%) = 0.139705 (91.4118) Neigh time (%) = 0 (0) Comm time (%) = 0.00127816 (0.836325) Outpt time (%) = 0.00100088 (0.654895) Other time (%) = 0.0108464 (7.09698) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2307 0 -2213.3374 -2213.3374 -3383.3637 3383.3637 2308 1.4814652e-16 -2213.3374 -2213.3374 -3383.3637 3383.3637 Loop time of 0.00214601 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373831 -2213.3373831 -2213.3373831 Force two-norm initial, final = 0.0045992 0.0045992 Force max component initial, final = 0.000452207 0.000452207 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186992 (87.1348) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.755472) Outpt time (%) = 0 (0) Other time (%) = 0.000259876 (12.1098) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2150 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2160 2419.1811 -2027.5633 -2027.5633 15527.748 -15527.748 2170 2445.4404 -2027.8103 -2027.8103 15339.259 -15339.259 2180 2455.8862 -2027.0763 -2027.0763 14332.049 -14332.049 2190 2429.0256 -2024.0014 -2024.0014 14002.211 -14002.211 2200 2424.4775 -2022.5147 -2022.5147 14844.243 -14844.243 Loop time of 0.124577 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2200 2424.4775 -2022.5147 -2022.5147 14844.243 -14844.243 2222 2424.4775 -2213.2777 -2213.2777 13268.4 -13268.4 Loop time of 0.0476351 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2022.51465738 -2213.2608462 -2213.27772946 Force two-norm initial, final = 69.9953 0.513608 Force max component initial, final = 7.23974 0.122736 Final line search alpha, max atom move = 0.113866 0.0139755 Iterations, force evaluations = 22 40 Pair time (%) = 0.167874 (352.417) Neigh time (%) = 0.0034039 (7.14579) Comm time (%) = 0.000884771 (1.85739) Outpt time (%) = 0.000347853 (0.730245) Other time (%) = -0.124876 (-262.15) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.2721 -2213.2721 -3386.4848 3386.4848 2210 1.2619507e-10 -2213.2721 -2213.2721 -3386.4848 3386.4848 2220 1.3836923e-09 -2213.2721 -2213.2721 -3386.485 3386.485 2230 6.7572086e-09 -2213.2721 -2213.2721 -3386.4858 3386.4858 2240 3.6345317e-08 -2213.2721 -2213.2721 -3386.49 3386.49 2250 1.4332831e-07 -2213.2722 -2213.2722 -3386.5052 3386.5052 2260 6.8942227e-07 -2213.2725 -2213.2725 -3386.5809 3386.5809 2270 2.6017718e-06 -2213.2736 -2213.2736 -3386.821 3386.821 2280 1.1583648e-05 -2213.2787 -2213.2787 -3387.4955 3387.4955 2290 3.1499479e-05 -2213.292 -2213.292 -3386.3363 3386.3363 2300 7.6053655e-05 -2213.3252 -2213.3252 -3385.0828 3385.0828 2310 4.7476421e-07 -2213.336 -2213.336 -3384.575 3384.575 2320 2.2061915e-07 -2213.3363 -2213.3363 -3384.2112 3384.2112 2330 9.0951621e-07 -2213.3368 -2213.3368 -3384.0431 3384.0431 2340 9.0402557e-07 -2213.3373 -2213.3373 -3383.2363 3383.2363 2350 1.0006929e-08 -2213.3373 -2213.3373 -3383.1938 3383.1938 2357 3.996193e-08 -2213.3374 -2213.3374 -3383.2477 3383.2477 Loop time of 0.154386 on 1 procs for 157 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27206669 -2213.33735416 -2213.33735854 Force two-norm initial, final = 0.38224 0.00931639 Force max component initial, final = 0.0342368 0.000762579 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 157 157 Pair time (%) = 0.139967 (90.6602) Neigh time (%) = 0 (0) Comm time (%) = 0.0012579 (0.814773) Outpt time (%) = 0.00101399 (0.656791) Other time (%) = 0.0121474 (7.86822) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2357 0 -2213.3374 -2213.3374 -3383.2477 3383.2477 2358 6.0788519e-16 -2213.3374 -2213.3374 -3383.2477 3383.2477 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 = -2213.33735854 -2213.33735854 -2213.33735854 Force two-norm initial, final = 0.00931639 0.00931639 Force max component initial, final = 0.000762579 0.000762579 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00188303 (89.7602) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.76145) Outpt time (%) = 0 (0) Other time (%) = 0.000198841 (9.47835) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2100 2385.5796 -2029.0991 -2029.0991 15985.578 -15985.578 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 2385.5796 -2029.0991 -2029.0991 15985.578 -15985.578 2110 2415.543 -2029.9876 -2029.9876 15159.682 -15159.682 2120 2421.7824 -2029.4071 -2029.4071 16222.761 -16222.761 2130 2481.4588 -2032.4802 -2032.4802 16828.036 -16828.036 2140 2431.5469 -2028.4818 -2028.4818 15648.744 -15648.744 2150 2414.5106 -2026.7926 -2026.7926 15510.61 -15510.61 Loop time of 0.122815 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2150 2414.5106 -2026.7926 -2026.7926 15510.61 -15510.61 2169 2414.5106 -2213.2067 -2213.2067 13190.116 -13190.116 Loop time of 0.0418558 on 1 procs for 19 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.79256051 -2213.18635199 -2213.20674529 Force two-norm initial, final = 72.2024 0.789627 Force max component initial, final = 7.44818 0.123951 Final line search alpha, max atom move = 0.0503306 0.00623852 Iterations, force evaluations = 19 34 Pair time (%) = 0.160631 (383.772) Neigh time (%) = 0.00333023 (7.95644) Comm time (%) = 0.000808716 (1.93215) Outpt time (%) = 0.000338793 (0.809428) Other time (%) = -0.123253 (-294.47) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.292 -2213.292 -3387.1767 3387.1767 2160 1.193873e-10 -2213.292 -2213.292 -3387.1767 3387.1767 2170 1.3090177e-09 -2213.292 -2213.292 -3387.1767 3387.1767 2180 6.3917469e-09 -2213.292 -2213.292 -3387.1767 3387.1767 2190 3.4359311e-08 -2213.292 -2213.292 -3387.177 3387.177 2200 1.351457e-07 -2213.2921 -2213.2921 -3387.178 3387.178 2210 6.4302944e-07 -2213.2924 -2213.2924 -3387.1824 3387.1824 2220 2.3271548e-06 -2213.2934 -2213.2934 -3387.1905 3387.1905 2230 9.6361953e-06 -2213.2976 -2213.2976 -3387.1423 3387.1423 2240 2.8026584e-05 -2213.3086 -2213.3086 -3386.7383 3386.7383 2250 4.3576243e-05 -2213.3288 -2213.3288 -3384.1518 3384.1518 2260 1.3053338e-06 -2213.3369 -2213.3369 -3383.4383 3383.4383 2270 7.0519677e-07 -2213.3372 -2213.3372 -3383.3322 3383.3322 2280 6.1322853e-07 -2213.3373 -2213.3373 -3383.3735 3383.3735 2290 8.7775352e-08 -2213.3374 -2213.3374 -3383.4115 3383.4115 2300 7.9736205e-08 -2213.3374 -2213.3374 -3383.4676 3383.4676 2310 2.1113344e-08 -2213.3374 -2213.3374 -3383.4266 3383.4266 2320 3.4838722e-08 -2213.3374 -2213.3374 -3383.3293 3383.3293 2330 2.8743339e-10 -2213.3374 -2213.3374 -3383.3823 3383.3823 2334 1.0745856e-09 -2213.3374 -2213.3374 -3383.3886 3383.3886 Loop time of 0.178536 on 1 procs for 184 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29197462 -2213.33738706 -2213.33738717 Force two-norm initial, final = 0.371787 0.00309473 Force max component initial, final = 0.0378451 0.000268857 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 184 184 Pair time (%) = 0.16358 (91.6231) Neigh time (%) = 0 (0) Comm time (%) = 0.00146556 (0.820875) Outpt time (%) = 0.0012064 (0.675716) Other time (%) = 0.0122838 (6.88029) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2334 0 -2213.3374 -2213.3374 -3383.3886 3383.3886 2340 2.4147529e-15 -2213.3374 -2213.3374 -3383.3886 3383.3886 2350 3.7139676e-14 -2213.3374 -2213.3374 -3383.3886 3383.3886 2360 2.4088391e-13 -2213.3374 -2213.3374 -3383.3886 3383.3886 2370 1.187456e-12 -2213.3374 -2213.3374 -3383.3886 3383.3886 2380 5.4103512e-12 -2213.3374 -2213.3374 -3383.3886 3383.3886 2390 2.2619479e-11 -2213.3374 -2213.3374 -3383.3888 3383.3888 2400 8.5835805e-11 -2213.3374 -2213.3374 -3383.3897 3383.3897 2410 2.3182362e-10 -2213.3374 -2213.3374 -3383.3924 3383.3924 2420 4.8730869e-10 -2213.3374 -2213.3374 -3383.3961 3383.3961 2430 1.3635113e-09 -2213.3374 -2213.3374 -3383.394 3383.394 2440 1.2786287e-09 -2213.3374 -2213.3374 -3383.3994 3383.3994 2450 1.5957364e-11 -2213.3374 -2213.3374 -3383.3937 3383.3937 2460 4.6272191e-11 -2213.3374 -2213.3374 -3383.3938 3383.3938 2470 3.4563308e-12 -2213.3374 -2213.3374 -3383.3943 3383.3943 2480 1.1588634e-12 -2213.3374 -2213.3374 -3383.3956 3383.3956 2490 1.5332069e-12 -2213.3374 -2213.3374 -3383.395 3383.395 2500 2.5791982e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2510 1.3364047e-13 -2213.3374 -2213.3374 -3383.3943 3383.3943 2520 3.7122387e-15 -2213.3374 -2213.3374 -3383.3945 3383.3945 2530 2.132613e-14 -2213.3374 -2213.3374 -3383.3947 3383.3947 2534 6.4389546e-14 -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 = -2213.33738717 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00309473 1.34842e-05 Force max component initial, final = 0.000268857 1.05826e-06 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176456 (91.1155) Neigh time (%) = 0 (0) Comm time (%) = 0.00161624 (0.834568) Outpt time (%) = 0.0014112 (0.728692) Other time (%) = 0.0141785 (7.32127) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2150 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2160 2406.0886 -2027.7051 -2027.7051 15412.767 -15412.767 2170 2424.7323 -2028.5202 -2028.5202 15094.69 -15094.69 2180 2427.7141 -2028.3777 -2028.3777 14005.213 -14005.213 2190 2393.665 -2025.8654 -2025.8654 13639.53 -13639.53 2200 2386.5617 -2025.1573 -2025.1573 14442.222 -14442.222 Loop time of 0.123246 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2200 2386.5617 -2025.1573 -2025.1573 14442.222 -14442.222 2221 2386.5617 -2213.2835 -2213.2835 13006.523 -13006.523 Loop time of 0.0455198 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.15730522 -2213.27129763 -2213.28349281 Force two-norm initial, final = 69.5257 0.47391 Force max component initial, final = 7.1783 0.0556212 Final line search alpha, max atom move = 0.0591738 0.00329132 Iterations, force evaluations = 21 38 Pair time (%) = 0.339175 (745.114) Neigh time (%) = 0.00335741 (7.37571) Comm time (%) = 0.00245118 (5.38487) Outpt time (%) = 0.00174332 (3.8298) Other time (%) = -0.301207 (-661.705) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.292 -2213.292 -3387.1767 3387.1767 2210 1.1938735e-10 -2213.292 -2213.292 -3387.1767 3387.1767 2220 1.3090257e-09 -2213.292 -2213.292 -3387.1767 3387.1767 2230 6.3920316e-09 -2213.292 -2213.292 -3387.1767 3387.1767 2240 3.4366346e-08 -2213.292 -2213.292 -3387.177 3387.177 2250 1.3528539e-07 -2213.2921 -2213.2921 -3387.178 3387.178 2260 6.4556953e-07 -2213.2924 -2213.2924 -3387.1824 3387.1824 2270 2.3637076e-06 -2213.2934 -2213.2934 -3387.1905 3387.1905 2280 9.5120778e-06 -2213.2976 -2213.2976 -3387.1416 3387.1416 2290 2.5539196e-05 -2213.308 -2213.308 -3386.7792 3386.7792 2300 4.7809405e-05 -2213.3289 -2213.3289 -3384.1922 3384.1922 2310 9.6971897e-07 -2213.3368 -2213.3368 -3383.4733 3383.4733 2320 2.404899e-07 -2213.3371 -2213.3371 -3383.3974 3383.3974 2330 4.3350157e-07 -2213.3373 -2213.3373 -3383.3434 3383.3434 2340 6.912832e-08 -2213.3373 -2213.3373 -3383.4095 3383.4095 2350 1.9980596e-08 -2213.3373 -2213.3373 -3383.3783 3383.3783 2360 7.4493782e-08 -2213.3374 -2213.3374 -3383.4059 3383.4059 2363 8.6849589e-08 -2213.3374 -2213.3374 -3383.3753 3383.3753 Loop time of 0.158803 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29197462 -2213.33737003 -2213.33737391 Force two-norm initial, final = 0.371787 0.00660875 Force max component initial, final = 0.0378451 0.000564764 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.145029 (91.3264) Neigh time (%) = 0 (0) Comm time (%) = 0.00130749 (0.823339) Outpt time (%) = 0.00108767 (0.684915) Other time (%) = 0.0113788 (7.16533) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2363 0 -2213.3374 -2213.3374 -3383.3753 3383.3753 2364 3.0588986e-16 -2213.3374 -2213.3374 -3383.3753 3383.3753 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 = -2213.33737391 -2213.33737391 -2213.33737391 Force two-norm initial, final = 0.00660875 0.00660875 Force max component initial, final = 0.000564764 0.000564764 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185561 (89.3878) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.712071) Outpt time (%) = 0 (0) Other time (%) = 0.000205517 (9.90008) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2200 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2210 2402.6055 -2027.7451 -2027.7451 15381.779 -15381.779 2220 2419.8995 -2028.7057 -2028.7057 15034.948 -15034.948 2230 2421.7035 -2028.6858 -2028.6858 13934.06 -13934.06 2240 2386.614 -2026.2708 -2026.2708 13570.06 -13570.06 2250 2379.6904 -2025.7081 -2025.7081 14372.392 -14372.392 Loop time of 0.123255 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2250 2379.6904 -2025.7081 -2025.7081 14372.392 -14372.392 2270 2379.6904 -2213.2812 -2213.2812 12953.163 -12953.163 Loop time of 0.0414691 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.7080663 -2213.26179643 -2213.2811526 Force two-norm initial, final = 69.4345 0.813462 Force max component initial, final = 7.16608 0.104009 Final line search alpha, max atom move = 0.0337869 0.00351414 Iterations, force evaluations = 20 34 Pair time (%) = 0.160645 (387.384) Neigh time (%) = 0.00334024 (8.05478) Comm time (%) = 0.000812531 (1.95936) Outpt time (%) = 0.000329971 (0.795704) Other time (%) = -0.123658 (-298.194) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.292 -2213.292 -3387.1767 3387.1767 2260 1.1938743e-10 -2213.292 -2213.292 -3387.1767 3387.1767 2270 1.309038e-09 -2213.292 -2213.292 -3387.1767 3387.1767 2280 6.3924685e-09 -2213.292 -2213.292 -3387.1767 3387.1767 2290 3.4377186e-08 -2213.292 -2213.292 -3387.177 3387.177 2300 1.3550425e-07 -2213.2921 -2213.2921 -3387.178 3387.178 2310 6.498651e-07 -2213.2924 -2213.2924 -3387.1824 3387.1824 2320 2.4507199e-06 -2213.2934 -2213.2934 -3387.1905 3387.1905 2330 1.127818e-05 -2213.2978 -2213.2978 -3387.1366 3387.1366 2340 2.6670445e-05 -2213.3087 -2213.3087 -3386.7338 3386.7338 2350 3.9925282e-05 -2213.3285 -2213.3285 -3384.1544 3384.1544 2360 1.3032933e-06 -2213.335 -2213.335 -3383.8153 3383.8153 2370 4.7764585e-07 -2213.3354 -2213.3354 -3383.6718 3383.6718 2380 1.8523149e-06 -2213.3363 -2213.3363 -3383.4643 3383.4643 2390 5.747515e-08 -2213.337 -2213.337 -3383.4175 3383.4175 2400 2.1888728e-08 -2213.337 -2213.337 -3383.4316 3383.4316 2410 2.1059964e-07 -2213.3371 -2213.3371 -3383.4081 3383.4081 2420 4.1496635e-07 -2213.3373 -2213.3373 -3383.4214 3383.4214 2430 9.5764019e-10 -2213.3374 -2213.3374 -3383.4055 3383.4055 Loop time of 0.175576 on 1 procs for 180 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29197462 -2213.3373798 -2213.33738 Force two-norm initial, final = 0.371787 0.00564333 Force max component initial, final = 0.0378451 0.000598917 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 180 180 Pair time (%) = 0.160074 (91.1705) Neigh time (%) = 0 (0) Comm time (%) = 0.00145268 (0.827382) Outpt time (%) = 0.00113511 (0.646507) Other time (%) = 0.0129147 (7.3556) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2430 0 -2213.3374 -2213.3374 -3383.4055 3383.4055 2431 2.2304726e-16 -2213.3374 -2213.3374 -3383.4055 3383.4055 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 = -2213.33738 -2213.33738 -2213.33738 Force two-norm initial, final = 0.00564333 0.00564333 Force max component initial, final = 0.000598917 0.000598917 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186396 (89.7898) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.803951) Outpt time (%) = 0 (0) Other time (%) = 0.000195265 (9.40622) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2150 2414.5106 -2026.7926 -2026.7926 15510.61 -15510.61 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 2414.5106 -2026.7926 -2026.7926 15510.61 -15510.61 2160 2469.9548 -2030.3666 -2030.3666 15720.021 -15720.021 2170 2453.1471 -2029.2491 -2029.2491 16693.736 -16693.736 2180 2410.8238 -2026.5217 -2026.5217 15741.647 -15741.647 2190 2405.4164 -2026.2365 -2026.2365 15347.817 -15347.817 2200 2426.2043 -2027.6936 -2027.6936 15565.043 -15565.043 Loop time of 0.122801 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2200 2426.2043 -2027.6936 -2027.6936 15565.043 -15565.043 2220 2426.2043 -2213.2824 -2213.2824 13273.512 -13273.512 Loop time of 0.0499771 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.69361648 -2213.27182932 -2213.28238469 Force two-norm initial, final = 68.8758 0.434228 Force max component initial, final = 6.14527 0.0418507 Final line search alpha, max atom move = 0.0625 0.00261567 Iterations, force evaluations = 20 43 Pair time (%) = 0.168593 (337.34) Neigh time (%) = 0.00332212 (6.6473) Comm time (%) = 0.000883341 (1.76749) Outpt time (%) = 0.000329733 (0.659768) Other time (%) = -0.123151 (-246.415) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.2067 -2213.2067 -3392.9048 3392.9048 2210 5.3853544e-10 -2213.2067 -2213.2067 -3392.9048 3392.9048 2220 5.9047214e-09 -2213.2067 -2213.2067 -3392.905 3392.905 2230 2.8831095e-08 -2213.2068 -2213.2068 -3392.9061 3392.9061 2240 1.5496231e-07 -2213.2068 -2213.2068 -3392.9117 3392.9117 2250 6.0913993e-07 -2213.2071 -2213.2071 -3392.9319 3392.9319 2260 2.8896317e-06 -2213.2085 -2213.2085 -3393.0318 3393.0318 2270 1.0272151e-05 -2213.2131 -2213.2131 -3393.343 3393.343 2280 3.5787966e-05 -2213.2288 -2213.2288 -3394.1287 3394.1287 2290 5.6994771e-05 -2213.2512 -2213.2512 -3392.9159 3392.9159 2300 0.00013660745 -2213.3123 -2213.3123 -3385.3007 3385.3007 2310 1.1824437e-06 -2213.336 -2213.336 -3382.8605 3382.8605 2320 2.5781388e-07 -2213.3369 -2213.3369 -3383.2597 3383.2597 2330 3.8384399e-07 -2213.337 -2213.337 -3383.291 3383.291 2340 9.8641249e-07 -2213.3373 -2213.3373 -3383.1884 3383.1884 2350 2.7104011e-08 -2213.3374 -2213.3374 -3383.5201 3383.5201 2360 4.5355602e-09 -2213.3374 -2213.3374 -3383.3896 3383.3896 2370 8.5959099e-09 -2213.3374 -2213.3374 -3383.4643 3383.4643 2378 2.1963518e-08 -2213.3374 -2213.3374 -3383.378 3383.378 Loop time of 0.172819 on 1 procs for 178 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.20674529 -2213.3373789 -2213.3373807 Force two-norm initial, final = 0.789627 0.00754666 Force max component initial, final = 0.123951 0.000719881 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 178 178 Pair time (%) = 0.15847 (91.6972) Neigh time (%) = 0 (0) Comm time (%) = 0.00141191 (0.816991) Outpt time (%) = 0.0011487 (0.664685) Other time (%) = 0.0117881 (6.82109) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2378 0 -2213.3374 -2213.3374 -3383.378 3383.378 2380 1.5954942e-15 -2213.3374 -2213.3374 -3383.378 3383.378 2390 8.3713535e-14 -2213.3374 -2213.3374 -3383.378 3383.378 2400 7.8503919e-13 -2213.3374 -2213.3374 -3383.378 3383.378 2410 3.6263604e-12 -2213.3374 -2213.3374 -3383.378 3383.378 2420 1.9254519e-11 -2213.3374 -2213.3374 -3383.3782 3383.3782 2430 7.3535035e-11 -2213.3374 -2213.3374 -3383.3788 3383.3788 2440 3.3312219e-10 -2213.3374 -2213.3374 -3383.3818 3383.3818 2450 9.5996075e-10 -2213.3374 -2213.3374 -3383.3911 3383.3911 2460 1.640382e-09 -2213.3374 -2213.3374 -3383.416 3383.416 2470 4.1521106e-09 -2213.3374 -2213.3374 -3383.3949 3383.3949 2480 7.3099268e-09 -2213.3374 -2213.3374 -3383.3737 3383.3737 2490 1.4225641e-09 -2213.3374 -2213.3374 -3383.3738 3383.3738 2500 1.192537e-08 -2213.3374 -2213.3374 -3383.3455 3383.3455 2510 1.1724264e-10 -2213.3374 -2213.3374 -3383.401 3383.401 2520 1.1339096e-11 -2213.3374 -2213.3374 -3383.3917 3383.3917 2530 3.7502241e-12 -2213.3374 -2213.3374 -3383.3968 3383.3968 2540 6.5879011e-11 -2213.3374 -2213.3374 -3383.3947 3383.3947 2550 6.3162747e-14 -2213.3374 -2213.3374 -3383.3946 3383.3946 2560 5.4902525e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2570 1.9907131e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2578 8.0855462e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 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 = -2213.3373807 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00754666 0.000170343 Force max component initial, final = 0.000719881 1.28215e-05 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.177286 (89.4395) Neigh time (%) = 0 (0) Comm time (%) = 0.00163484 (0.824763) Outpt time (%) = 0.00142908 (0.720961) Other time (%) = 0.017869 (9.01478) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2200 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2210 2398.5459 -2027.7917 -2027.7917 15345.681 -15345.681 2220 2414.2047 -2028.9222 -2028.9222 14964.857 -14964.857 2230 2414.5078 -2029.0488 -2029.0488 13849.296 -13849.296 2240 2378.0122 -2026.7552 -2026.7552 13485.014 -13485.014 2250 2371.0505 -2026.3744 -2026.3744 14284.098 -14284.098 Loop time of 0.123185 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2250 2371.0505 -2026.3744 -2026.3744 14284.098 -14284.098 2270 2371.0505 -2213.2704 -2213.2704 12889.926 -12889.926 Loop time of 0.0414369 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.37440948 -2213.25531616 -2213.27039945 Force two-norm initial, final = 69.3215 0.663706 Force max component initial, final = 7.15098 0.0613998 Final line search alpha, max atom move = 0.125 0.00767497 Iterations, force evaluations = 20 34 Pair time (%) = 0.335953 (810.757) Neigh time (%) = 0.00332689 (8.02881) Comm time (%) = 0.00243974 (5.88784) Outpt time (%) = 0.00176907 (4.2693) Other time (%) = -0.302051 (-728.943) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.2067 -2213.2067 -3392.9048 3392.9048 2260 5.3853586e-10 -2213.2067 -2213.2067 -3392.9048 3392.9048 2270 5.9047863e-09 -2213.2067 -2213.2067 -3392.905 3392.905 2280 2.8833412e-08 -2213.2068 -2213.2068 -3392.9061 3392.9061 2290 1.5501967e-07 -2213.2068 -2213.2068 -3392.9117 3392.9117 2300 6.1028681e-07 -2213.2071 -2213.2071 -3392.9319 3392.9319 2310 2.9111672e-06 -2213.2085 -2213.2085 -3393.032 3393.032 2320 1.0634859e-05 -2213.2131 -2213.2131 -3393.3468 3393.3468 2330 3.9144757e-05 -2213.2294 -2213.2294 -3394.1405 3394.1405 2340 5.5288309e-05 -2213.2515 -2213.2515 -3392.8779 3392.8779 2350 0.00012645199 -2213.311 -2213.311 -3385.2935 3385.2935 2360 1.556525e-06 -2213.3357 -2213.3357 -3382.6571 3382.6571 2370 3.3179027e-07 -2213.3367 -2213.3367 -3383.1791 3383.1791 2380 4.6668485e-07 -2213.337 -2213.337 -3383.3196 3383.3196 2390 5.0391302e-08 -2213.3372 -2213.3372 -3383.3706 3383.3706 2400 1.0127341e-08 -2213.3372 -2213.3372 -3383.3783 3383.3783 2410 8.4554488e-08 -2213.3373 -2213.3373 -3383.388 3383.388 2414 1.0298298e-07 -2213.3373 -2213.3373 -3383.3908 3383.3908 Loop time of 0.160107 on 1 procs for 164 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.20674529 -2213.33732327 -2213.33733081 Force two-norm initial, final = 0.789627 0.00929005 Force max component initial, final = 0.123951 0.000979788 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 164 164 Pair time (%) = 0.146137 (91.2742) Neigh time (%) = 0 (0) Comm time (%) = 0.0013144 (0.820951) Outpt time (%) = 0.00107384 (0.670699) Other time (%) = 0.0115824 (7.23414) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2414 0 -2213.3373 -2213.3373 -3383.3908 3383.3908 2415 6.0445296e-16 -2213.3373 -2213.3373 -3383.3908 3383.3908 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 = -2213.33733081 -2213.33733081 -2213.33733081 Force two-norm initial, final = 0.00929005 0.00929005 Force max component initial, final = 0.000979788 0.000979788 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001858 (89.5438) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.735379) Outpt time (%) = 0 (0) Other time (%) = 0.000201702 (9.72079) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2250 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2260 2399.0137 -2027.7863 -2027.7863 15349.845 -15349.845 2270 2414.8514 -2028.8973 -2028.8973 14972.859 -14972.859 2280 2415.3074 -2029.0075 -2029.0075 13858.776 -13858.776 2290 2378.9342 -2026.7012 -2026.7012 13494.097 -13494.097 2300 2371.9253 -2026.302 -2026.302 14292.923 -14292.923 Loop time of 0.123159 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2300 2371.9253 -2026.302 -2026.302 14292.923 -14292.923 2320 2371.9253 -2213.2888 -2213.2888 12895.527 -12895.527 Loop time of 0.041436 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.30197347 -2213.26979965 -2213.2888478 Force two-norm initial, final = 69.3333 0.438112 Force max component initial, final = 7.15258 0.0498683 Final line search alpha, max atom move = 0.0625 0.00311677 Iterations, force evaluations = 20 34 Pair time (%) = 0.160496 (387.336) Neigh time (%) = 0.00334501 (8.07273) Comm time (%) = 0.000819206 (1.97704) Outpt time (%) = 0.000339746 (0.819932) Other time (%) = -0.123564 (-298.205) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.2067 -2213.2067 -3392.9048 3392.9048 2310 5.3853547e-10 -2213.2067 -2213.2067 -3392.9048 3392.9048 2320 5.9047261e-09 -2213.2067 -2213.2067 -3392.905 3392.905 2330 2.8831263e-08 -2213.2068 -2213.2068 -3392.9061 3392.9061 2340 1.5496646e-07 -2213.2068 -2213.2068 -3392.9117 3392.9117 2350 6.0922221e-07 -2213.2071 -2213.2071 -3392.9319 3392.9319 2360 2.8911097e-06 -2213.2085 -2213.2085 -3393.0318 3393.0318 2370 1.0292526e-05 -2213.2131 -2213.2131 -3393.3433 3393.3433 2380 3.5764371e-05 -2213.2288 -2213.2288 -3394.1291 3394.1291 2390 5.7564588e-05 -2213.2512 -2213.2512 -3392.9205 3392.9205 2400 0.00014614202 -2213.3137 -2213.3137 -3385.2698 3385.2698 2410 1.2376993e-06 -2213.3359 -2213.3359 -3382.8351 3382.8351 2420 1.8603875e-07 -2213.3367 -2213.3367 -3383.1862 3383.1862 2430 4.620807e-07 -2213.3369 -2213.3369 -3383.3414 3383.3414 2440 5.6491736e-08 -2213.3372 -2213.3372 -3383.5193 3383.5193 2450 1.6781914e-08 -2213.3373 -2213.3373 -3383.3626 3383.3626 2460 8.1836349e-08 -2213.3373 -2213.3373 -3383.3956 3383.3956 2470 5.2935375e-11 -2213.3373 -2213.3373 -3383.4214 3383.4214 2478 4.9277571e-09 -2213.3373 -2213.3373 -3383.4072 3383.4072 Loop time of 0.173741 on 1 procs for 178 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.20674529 -2213.3373266 -2213.33732728 Force two-norm initial, final = 0.789627 0.00961353 Force max component initial, final = 0.123951 0.000815805 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 178 178 Pair time (%) = 0.15853 (91.2449) Neigh time (%) = 0 (0) Comm time (%) = 0.00143623 (0.826653) Outpt time (%) = 0.00115156 (0.662804) Other time (%) = 0.0126233 (7.2656) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2478 0 -2213.3373 -2213.3373 -3383.4072 3383.4072 2479 6.472794e-16 -2213.3373 -2213.3373 -3383.4072 3383.4072 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 = -2213.33732728 -2213.33732728 -2213.33732728 Force two-norm initial, final = 0.00961353 0.00961353 Force max component initial, final = 0.000815805 0.000815805 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187588 (89.7559) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.718686) Outpt time (%) = 0 (0) Other time (%) = 0.00019908 (9.52544) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2200 2426.2043 -2027.6936 -2027.6936 15565.043 -15565.043 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2200 2426.2043 -2027.6936 -2027.6936 15565.043 -15565.043 2210 2383.5106 -2024.913 -2024.913 16138.946 -16138.946 2220 2487.6559 -2031.8428 -2031.8428 15557.978 -15557.978 2230 2524.6053 -2034.4462 -2034.4462 14923.436 -14923.436 2240 2392.1903 -2026.0177 -2026.0177 15400.062 -15400.062 2250 2403.5718 -2027.1142 -2027.1142 13857.29 -13857.29 Loop time of 0.124357 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2250 2403.5718 -2027.1142 -2027.1142 13857.29 -13857.29 2270 2403.5718 -2213.2943 -2213.2943 13116.974 -13116.974 Loop time of 0.0466869 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.11419821 -2213.27235996 -2213.29433424 Force two-norm initial, final = 71.0239 0.558878 Force max component initial, final = 6.91608 0.0743325 Final line search alpha, max atom move = 0.125 0.00929157 Iterations, force evaluations = 20 40 Pair time (%) = 0.166876 (357.437) Neigh time (%) = 0.0033493 (7.17397) Comm time (%) = 0.000858307 (1.83843) Outpt time (%) = 0.000340939 (0.730266) Other time (%) = -0.124738 (-267.18) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.2824 -2213.2824 -3389.8226 3389.8226 2260 1.6285683e-10 -2213.2824 -2213.2824 -3389.8226 3389.8226 2270 1.7856525e-09 -2213.2824 -2213.2824 -3389.8227 3389.8227 2280 8.7195176e-09 -2213.2824 -2213.2824 -3389.8228 3389.8228 2290 4.6882821e-08 -2213.2824 -2213.2824 -3389.8235 3389.8235 2300 1.8459624e-07 -2213.2825 -2213.2825 -3389.8259 3389.8259 2310 8.8171037e-07 -2213.2829 -2213.2829 -3389.837 3389.837 2320 3.2310939e-06 -2213.2843 -2213.2843 -3389.8591 3389.8591 2330 1.2643092e-05 -2213.2898 -2213.2898 -3389.6511 3389.6511 2340 2.6362019e-05 -2213.3004 -2213.3004 -3387.7113 3387.7113 2350 6.1930316e-05 -2213.3275 -2213.3275 -3384.518 3384.518 2360 5.0829236e-07 -2213.3364 -2213.3364 -3383.023 3383.023 2370 1.3023596e-06 -2213.3369 -2213.3369 -3383.7733 3383.7733 2380 5.4282406e-09 -2213.3373 -2213.3373 -3383.4658 3383.4658 2390 5.5583654e-08 -2213.3373 -2213.3373 -3383.3614 3383.3614 2400 2.5368399e-10 -2213.3374 -2213.3374 -3383.4134 3383.4134 2410 1.4758544e-08 -2213.3374 -2213.3374 -3383.3709 3383.3709 2415 2.4092489e-08 -2213.3374 -2213.3374 -3383.3967 3383.3967 Loop time of 0.160707 on 1 procs for 165 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28238469 -2213.33737141 -2213.33737321 Force two-norm initial, final = 0.434228 0.00524662 Force max component initial, final = 0.0418507 0.000475748 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 165 165 Pair time (%) = 0.147065 (91.5112) Neigh time (%) = 0 (0) Comm time (%) = 0.0013299 (0.82753) Outpt time (%) = 0.00107622 (0.669679) Other time (%) = 0.011236 (6.99158) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2415 0 -2213.3374 -2213.3374 -3383.3967 3383.3967 2416 1.9279057e-16 -2213.3374 -2213.3374 -3383.3967 3383.3967 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 = -2213.33737321 -2213.33737321 -2213.33737321 Force two-norm initial, final = 0.00524662 0.00524662 Force max component initial, final = 0.000475748 0.000475748 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186205 (89.6979) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.780981) Outpt time (%) = 0 (0) Other time (%) = 0.000197649 (9.52107) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2250 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2260 2395.2438 -2027.8271 -2027.8271 15316.743 -15316.743 2270 2408.7194 -2029.1022 -2029.1022 14901.23 -14901.23 2280 2406.4286 -2029.3936 -2029.3936 13757.833 -13757.833 2290 2366.7507 -2027.2871 -2027.2871 13369.624 -13369.624 2300 2356.8968 -2027.1899 -2027.1899 14133.971 -14133.971 Loop time of 0.123179 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2300 2356.8968 -2027.1899 -2027.1899 14133.971 -14133.971 2320 2356.8968 -2213.253 -2213.253 12789.399 -12789.399 Loop time of 0.0422728 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.18992776 -2213.23551422 -2213.25297963 Force two-norm initial, final = 69.1599 0.674719 Force max component initial, final = 7.13006 0.0706247 Final line search alpha, max atom move = 0.125 0.00882809 Iterations, force evaluations = 20 35 Pair time (%) = 0.161303 (381.577) Neigh time (%) = 0.00335121 (7.92758) Comm time (%) = 0.000821352 (1.94298) Outpt time (%) = 0.000348091 (0.82344) Other time (%) = -0.123551 (-292.271) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.2824 -2213.2824 -3389.8226 3389.8226 2310 1.6285689e-10 -2213.2824 -2213.2824 -3389.8226 3389.8226 2320 1.785662e-09 -2213.2824 -2213.2824 -3389.8227 3389.8227 2330 8.7198595e-09 -2213.2824 -2213.2824 -3389.8228 3389.8228 2340 4.6891296e-08 -2213.2824 -2213.2824 -3389.8235 3389.8235 2350 1.8476672e-07 -2213.2825 -2213.2825 -3389.8259 3389.8259 2360 8.8499924e-07 -2213.2829 -2213.2829 -3389.8371 3389.8371 2370 3.2928672e-06 -2213.2843 -2213.2843 -3389.8591 3389.8591 2380 1.3530091e-05 -2213.2899 -2213.2899 -3389.6375 3389.6375 2390 2.4685863e-05 -2213.3003 -2213.3003 -3387.7018 3387.7018 2400 5.6937112e-05 -2213.3268 -2213.3268 -3384.7151 3384.7151 2410 4.732343e-07 -2213.3357 -2213.3357 -3383.1724 3383.1724 2420 2.3752817e-07 -2213.3365 -2213.3365 -3382.9609 3382.9609 2430 4.8011537e-08 -2213.3366 -2213.3366 -3382.9432 3382.9432 2440 4.665413e-07 -2213.3368 -2213.3368 -3383.0878 3383.0878 2450 9.0690005e-07 -2213.3373 -2213.3373 -3383.4347 3383.4347 2460 3.2180963e-10 -2213.3374 -2213.3374 -3383.4755 3383.4755 2463 1.2649803e-09 -2213.3374 -2213.3374 -3383.4719 3383.4719 Loop time of 0.159686 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28238469 -2213.33736565 -2213.33736586 Force two-norm initial, final = 0.434228 0.00660613 Force max component initial, final = 0.0418507 0.000583177 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.145471 (91.0982) Neigh time (%) = 0 (0) Comm time (%) = 0.001297 (0.812218) Outpt time (%) = 0.00108981 (0.682472) Other time (%) = 0.0118282 (7.40716) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2463 0 -2213.3374 -2213.3374 -3383.4719 3383.4719 2464 3.0564757e-16 -2213.3374 -2213.3374 -3383.4719 3383.4719 Loop time of 0.0020752 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736586 -2213.33736586 -2213.33736586 Force two-norm initial, final = 0.00660613 0.00660613 Force max component initial, final = 0.000583177 0.000583177 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186419 (89.8323) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.758272) Outpt time (%) = 0 (0) Other time (%) = 0.000195265 (9.40947) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2300 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2310 2391.1365 -2027.8682 -2027.8682 15281.244 -15281.244 2320 2400.7458 -2029.3313 -2029.3313 14813.174 -14813.174 2330 2393.23 -2029.8903 -2029.8903 13612.624 -13612.624 2340 2346.9035 -2028.1418 -2028.1418 13162.207 -13162.207 2350 2330.5209 -2028.5753 -2028.5753 13847.924 -13847.924 Loop time of 0.12288 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2350 2330.5209 -2028.5753 -2028.5753 13847.924 -13847.924 2370 2330.5209 -2213.2129 -2213.2129 12608.086 -12608.086 Loop time of 0.042172 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.5753316 -2213.19294892 -2213.21287083 Force two-norm initial, final = 68.8643 0.661391 Force max component initial, final = 7.09231 0.162657 Final line search alpha, max atom move = 0.0576557 0.00937812 Iterations, force evaluations = 20 35 Pair time (%) = 0.160971 (381.702) Neigh time (%) = 0.00334096 (7.92223) Comm time (%) = 0.000822067 (1.94932) Outpt time (%) = 0.000331163 (0.785269) Other time (%) = -0.123294 (-292.359) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.2824 -2213.2824 -3389.8226 3389.8226 2360 1.6285678e-10 -2213.2824 -2213.2824 -3389.8226 3389.8226 2370 1.7856458e-09 -2213.2824 -2213.2824 -3389.8227 3389.8227 2380 8.7192799e-09 -2213.2824 -2213.2824 -3389.8228 3389.8228 2390 4.6876939e-08 -2213.2824 -2213.2824 -3389.8235 3389.8235 2400 1.8447876e-07 -2213.2825 -2213.2825 -3389.8259 3389.8259 2410 8.7951456e-07 -2213.2829 -2213.2829 -3389.837 3389.837 2420 3.1948865e-06 -2213.2843 -2213.2843 -3389.8591 3389.8591 2430 1.2328282e-05 -2213.2897 -2213.2897 -3389.6567 3389.6567 2440 2.5802316e-05 -2213.3002 -2213.3002 -3387.7297 3387.7297 2450 6.2170441e-05 -2213.3273 -2213.3273 -3384.5497 3384.5497 2460 4.0285623e-07 -2213.3365 -2213.3365 -3383.051 3383.051 2470 1.2076575e-07 -2213.3367 -2213.3367 -3382.9504 3382.9504 2480 4.6248792e-07 -2213.337 -2213.337 -3383.087 3383.087 2490 1.1577024e-08 -2213.3373 -2213.3373 -3383.3098 3383.3098 2500 7.8053607e-09 -2213.3373 -2213.3373 -3383.33 3383.33 2510 7.3267643e-08 -2213.3373 -2213.3373 -3383.3407 3383.3407 2520 9.0671192e-08 -2213.3374 -2213.3374 -3383.4303 3383.4303 2521 7.8103776e-08 -2213.3374 -2213.3374 -3383.4299 3383.4299 Loop time of 0.167443 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28238469 -2213.33738352 -2213.33738405 Force two-norm initial, final = 0.434228 0.00393084 Force max component initial, final = 0.0418507 0.000326772 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.15236 (90.992) Neigh time (%) = 0 (0) Comm time (%) = 0.00136638 (0.816025) Outpt time (%) = 0.00114942 (0.686452) Other time (%) = 0.0125675 (7.50555) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2521 0 -2213.3374 -2213.3374 -3383.4299 3383.4299 2522 1.0821724e-16 -2213.3374 -2213.3374 -3383.4299 3383.4299 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 = -2213.33738405 -2213.33738405 -2213.33738405 Force two-norm initial, final = 0.00393084 0.00393084 Force max component initial, final = 0.000326772 0.000326772 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (89.7027) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.826541) Outpt time (%) = 0 (0) Other time (%) = 0.000196695 (9.47078) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2250 2403.5718 -2027.1142 -2027.1142 13857.29 -13857.29 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2250 2403.5718 -2027.1142 -2027.1142 13857.29 -13857.29 2260 2410.2855 -2029.3824 -2029.3824 14052.113 -14052.113 2270 2347.7861 -2027.2916 -2027.2916 14695.228 -14695.228 2280 2300.781 -2026.226 -2026.226 15037.837 -15037.837 2290 2252.5922 -2024.9153 -2024.9153 14278.706 -14278.706 2300 2275.6374 -2028.0264 -2028.0264 12994.042 -12994.042 Loop time of 0.12528 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2300 2275.6374 -2028.0264 -2028.0264 12994.042 -12994.042 2323 2275.6374 -2213.321 -2213.321 12245.044 -12245.044 Loop time of 0.0593901 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.02636375 -2213.30127656 -2213.32101676 Force two-norm initial, final = 70.0647 0.573063 Force max component initial, final = 5.6851 0.0497965 Final line search alpha, max atom move = 0.101404 0.00504955 Iterations, force evaluations = 23 54 Pair time (%) = 0.180269 (303.533) Neigh time (%) = 0.0033412 (5.62585) Comm time (%) = 0.000978231 (1.64713) Outpt time (%) = 0.000334024 (0.562425) Other time (%) = -0.125532 (-211.369) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.2943 -2213.2943 -3390.9182 3390.9182 2310 2.6977621e-10 -2213.2943 -2213.2943 -3390.9183 3390.9183 2320 2.9579032e-09 -2213.2943 -2213.2943 -3390.9183 3390.9183 2330 1.4442155e-08 -2213.2943 -2213.2943 -3390.9186 3390.9186 2340 7.7605318e-08 -2213.2944 -2213.2944 -3390.92 3390.92 2350 3.0489438e-07 -2213.2945 -2213.2945 -3390.9249 3390.9249 2360 1.4403141e-06 -2213.2952 -2213.2952 -3390.9454 3390.9454 2370 5.0941248e-06 -2213.2974 -2213.2974 -3390.9575 3390.9575 2380 1.6956777e-05 -2213.3041 -2213.3041 -3389.961 3389.961 2390 2.3488953e-05 -2213.3134 -2213.3134 -3385.067 3385.067 2400 3.4082487e-05 -2213.3309 -2213.3309 -3386.2716 3386.2716 2410 2.3775355e-06 -2213.3353 -2213.3353 -3381.8569 3381.8569 2420 4.1381746e-07 -2213.3357 -2213.3357 -3382.7417 3382.7417 2430 1.2003979e-06 -2213.3363 -2213.3363 -3383.4468 3383.4468 2440 5.8525597e-09 -2213.3372 -2213.3372 -3383.2698 3383.2698 2450 1.9900668e-07 -2213.3372 -2213.3372 -3383.6607 3383.6607 2460 3.6358055e-09 -2213.3373 -2213.3373 -3383.4654 3383.4654 2470 2.3620792e-08 -2213.3373 -2213.3373 -3383.449 3383.449 2480 1.0711676e-07 -2213.3373 -2213.3373 -3383.4538 3383.4538 2486 2.3858205e-09 -2213.3374 -2213.3374 -3383.4037 3383.4037 Loop time of 0.183217 on 1 procs for 186 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29433424 -2213.33736931 -2213.3373699 Force two-norm initial, final = 0.558878 0.00770128 Force max component initial, final = 0.0743325 0.00062429 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 186 186 Pair time (%) = 0.165561 (90.3632) Neigh time (%) = 0 (0) Comm time (%) = 0.00148296 (0.809403) Outpt time (%) = 0.0012157 (0.663528) Other time (%) = 0.0149577 (8.16391) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2486 0 -2213.3374 -2213.3374 -3383.4037 3383.4037 2487 4.1538614e-16 -2213.3374 -2213.3374 -3383.4037 3383.4037 Loop time of 0.00212288 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373699 -2213.3373699 -2213.3373699 Force two-norm initial, final = 0.00770128 0.00770128 Force max component initial, final = 0.00062429 0.00062429 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187683 (88.4097) Neigh time (%) = 0 (0) Comm time (%) = 1.40667e-05 (0.662624) Outpt time (%) = 0 (0) Other time (%) = 0.000231981 (10.9277) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2300 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2310 2380.7296 -2027.995 -2027.995 15187.413 -15187.413 2320 2389.147 -2029.871 -2029.871 14657.038 -14657.038 2330 2383.0581 -2030.6431 -2030.6431 13478.02 -13478.02 2340 2340.8432 -2028.8741 -2028.8741 13117.535 -13117.535 2350 2334.2286 -2029.2637 -2029.2637 13911.363 -13911.363 Loop time of 0.123155 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2350 2334.2286 -2029.2637 -2029.2637 13911.363 -13911.363 2370 2334.2286 -2213.2884 -2213.2884 12640.043 -12640.043 Loop time of 0.0422208 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2029.26374279 -2213.2718104 -2213.28840234 Force two-norm initial, final = 68.8307 0.413991 Force max component initial, final = 7.08506 0.0427926 Final line search alpha, max atom move = 0.0625 0.00267454 Iterations, force evaluations = 20 35 Pair time (%) = 0.161279 (381.989) Neigh time (%) = 0.00334001 (7.9108) Comm time (%) = 0.000823975 (1.95158) Outpt time (%) = 0.000332832 (0.788313) Other time (%) = -0.123555 (-292.639) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.2943 -2213.2943 -3390.9182 3390.9182 2360 2.6977602e-10 -2213.2943 -2213.2943 -3390.9183 3390.9183 2370 2.9578752e-09 -2213.2943 -2213.2943 -3390.9183 3390.9183 2380 1.4441156e-08 -2213.2943 -2213.2943 -3390.9186 3390.9186 2390 7.7580551e-08 -2213.2944 -2213.2944 -3390.92 3390.92 2400 3.0439729e-07 -2213.2945 -2213.2945 -3390.9249 3390.9249 2410 1.4308207e-06 -2213.2952 -2213.2952 -3390.9454 3390.9454 2420 4.9213984e-06 -2213.2974 -2213.2974 -3390.958 3390.958 2430 1.476626e-05 -2213.3038 -2213.3038 -3390.0599 3390.0599 2440 2.3189768e-05 -2213.3129 -2213.3129 -3385.2885 3385.2885 2450 4.3642297e-05 -2213.3317 -2213.3317 -3384.8158 3384.8158 2460 2.3123484e-06 -2213.3351 -2213.3351 -3385.0709 3385.0709 2470 5.3738333e-07 -2213.336 -2213.336 -3383.0476 3383.0476 2480 1.4597193e-06 -2213.3367 -2213.3367 -3382.738 3382.738 2490 4.4681658e-08 -2213.3373 -2213.3373 -3383.5047 3383.5047 2500 2.3195e-08 -2213.3374 -2213.3374 -3383.4656 3383.4656 2508 4.1509762e-08 -2213.3374 -2213.3374 -3383.4585 3383.4585 Loop time of 0.154268 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29433424 -2213.33737953 -2213.33738197 Force two-norm initial, final = 0.558878 0.00652943 Force max component initial, final = 0.0743325 0.000661893 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.140802 (91.2713) Neigh time (%) = 0 (0) Comm time (%) = 0.00126743 (0.821579) Outpt time (%) = 0.00101733 (0.659458) Other time (%) = 0.0111809 (7.2477) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2508 0 -2213.3374 -2213.3374 -3383.4585 3383.4585 2509 2.9859127e-16 -2213.3374 -2213.3374 -3383.4585 3383.4585 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 = -2213.33738197 -2213.33738197 -2213.33738197 Force two-norm initial, final = 0.00652943 0.00652943 Force max component initial, final = 0.000661893 0.000661893 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187683 (90.1925) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.813474) Outpt time (%) = 0 (0) Other time (%) = 0.000187159 (8.99404) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2350 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2360 2390.3744 -2027.8852 -2027.8852 15273.05 -15273.05 2370 2402.6781 -2029.3579 -2029.3579 14823.355 -14823.355 2380 2399.8675 -2029.7828 -2029.7828 13677.126 -13677.126 2390 2360.4511 -2027.74 -2027.74 13311.098 -13311.098 2400 2353.2722 -2027.7319 -2027.7319 14102.668 -14102.668 Loop time of 0.12313 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2400 2353.2722 -2027.7319 -2027.7319 14102.668 -14102.668 2421 2353.2722 -2213.2666 -2213.2666 12770.399 -12770.399 Loop time of 0.0458422 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.7318634 -2213.2541061 -2213.26657097 Force two-norm initial, final = 69.0886 0.405051 Force max component initial, final = 7.11985 0.0330955 Final line search alpha, max atom move = 0.0604908 0.00200197 Iterations, force evaluations = 21 39 Pair time (%) = 0.164812 (359.52) Neigh time (%) = 0.00335002 (7.30772) Comm time (%) = 0.000859976 (1.87595) Outpt time (%) = 0.000329018 (0.717718) Other time (%) = -0.123508 (-269.421) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.2943 -2213.2943 -3390.9182 3390.9182 2410 2.6977601e-10 -2213.2943 -2213.2943 -3390.9183 3390.9183 2420 2.9578735e-09 -2213.2943 -2213.2943 -3390.9183 3390.9183 2430 1.4441096e-08 -2213.2943 -2213.2943 -3390.9186 3390.9186 2440 7.7579073e-08 -2213.2944 -2213.2944 -3390.92 3390.92 2450 3.0436729e-07 -2213.2945 -2213.2945 -3390.9249 3390.9249 2460 1.4302192e-06 -2213.2952 -2213.2952 -3390.9454 3390.9454 2470 4.9085252e-06 -2213.2974 -2213.2974 -3390.958 3390.958 2480 1.4506232e-05 -2213.3038 -2213.3038 -3390.0703 3390.0703 2490 2.2463197e-05 -2213.3128 -2213.3128 -3385.3495 3385.3495 2500 4.3526538e-05 -2213.3315 -2213.3315 -3384.9574 3384.9574 2510 2.9962885e-06 -2213.3352 -2213.3352 -3384.3354 3384.3354 2520 6.592724e-07 -2213.3361 -2213.3361 -3383.1049 3383.1049 2530 1.3116707e-06 -2213.3367 -2213.3367 -3382.8134 3382.8134 2540 1.1438215e-07 -2213.3372 -2213.3372 -3383.3589 3383.3589 2550 3.1503367e-08 -2213.3372 -2213.3372 -3383.271 3383.271 2560 1.4118916e-07 -2213.3373 -2213.3373 -3383.2693 3383.2693 2564 1.6539038e-07 -2213.3374 -2213.3374 -3383.3637 3383.3637 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 = -2213.29433424 -2213.3373494 -2213.3373612 Force two-norm initial, final = 0.558878 0.0095147 Force max component initial, final = 0.0743325 0.000888496 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 164 164 Pair time (%) = 0.146147 (90.9803) Neigh time (%) = 0 (0) Comm time (%) = 0.00129604 (0.80682) Outpt time (%) = 0.00106955 (0.66582) Other time (%) = 0.0121233 (7.54709) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2564 0 -2213.3374 -2213.3374 -3383.3637 3383.3637 2565 6.3403922e-16 -2213.3374 -2213.3374 -3383.3637 3383.3637 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 = -2213.3373612 -2213.3373612 -2213.3373612 Force two-norm initial, final = 0.0095147 0.0095147 Force max component initial, final = 0.000888496 0.000888496 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186205 (89.7392) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.758359) Outpt time (%) = 0 (0) Other time (%) = 0.000197172 (9.50247) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2300 2275.6374 -2028.0264 -2028.0264 12994.042 -12994.042 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2300 2275.6374 -2028.0264 -2028.0264 12994.042 -12994.042 2310 2393.8006 -2036.1814 -2036.1814 13437.911 -13437.911 2320 2385.0972 -2035.9264 -2035.9264 15254.866 -15254.866 2330 2357.5343 -2034.3968 -2034.3968 15661.916 -15661.916 2340 2412.4104 -2038.2628 -2038.2628 16488.481 -16488.481 2350 2388.0608 -2036.9015 -2036.9015 16786.512 -16786.512 Loop time of 0.124372 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2350 2388.0608 -2036.9015 -2036.9015 16786.512 -16786.512 2372 2388.0608 -2213.307 -2213.307 13020.166 -13020.166 Loop time of 0.0531821 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2036.90147202 -2213.28693885 -2213.30695658 Force two-norm initial, final = 69.4128 0.481258 Force max component initial, final = 6.3096 0.0519303 Final line search alpha, max atom move = 0.0625 0.00324564 Iterations, force evaluations = 22 48 Pair time (%) = 0.173222 (325.715) Neigh time (%) = 0.00335026 (6.29959) Comm time (%) = 0.000935555 (1.75915) Outpt time (%) = 0.000334978 (0.62987) Other time (%) = -0.124661 (-234.403) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.321 -2213.321 -3384.1861 3384.1861 2360 2.8364312e-10 -2213.321 -2213.321 -3384.1861 3384.1861 2370 3.1098022e-09 -2213.321 -2213.321 -3384.186 3384.186 2380 1.5180153e-08 -2213.321 -2213.321 -3384.1857 3384.1857 2390 8.1474482e-08 -2213.3211 -2213.3211 -3384.1841 3384.1841 2400 3.1847779e-07 -2213.3212 -2213.3212 -3384.1779 3384.1779 2410 1.4703921e-06 -2213.3219 -2213.3219 -3384.1435 3384.1435 2420 4.6896829e-06 -2213.324 -2213.324 -3383.99 3383.99 2430 8.7874092e-06 -2213.3278 -2213.3278 -3383.0854 3383.0854 2440 1.0007277e-05 -2213.3311 -2213.3311 -3384.4996 3384.4996 2450 1.1359427e-05 -2213.335 -2213.335 -3383.4157 3383.4157 2460 8.1397588e-08 -2213.3356 -2213.3356 -3382.8033 3382.8033 2470 5.258175e-07 -2213.336 -2213.336 -3383.7485 3383.7485 2480 1.6234823e-06 -2213.3368 -2213.3368 -3383.3561 3383.3561 2490 4.3153973e-09 -2213.3369 -2213.3369 -3383.3514 3383.3514 2500 7.7770506e-08 -2213.337 -2213.337 -3383.4896 3383.4896 2510 4.3764954e-07 -2213.3372 -2213.3372 -3383.4046 3383.4046 2520 7.2180456e-08 -2213.3373 -2213.3373 -3383.5009 3383.5009 2522 1.9100274e-07 -2213.3374 -2213.3374 -3383.3845 3383.3845 Loop time of 0.16665 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32101676 -2213.33736817 -2213.33738018 Force two-norm initial, final = 0.573063 0.0064739 Force max component initial, final = 0.0497965 0.000457864 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.152792 (91.684) Neigh time (%) = 0 (0) Comm time (%) = 0.00137663 (0.82606) Outpt time (%) = 0.00114322 (0.685999) Other time (%) = 0.0113387 (6.8039) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2522 0 -2213.3374 -2213.3374 -3383.3845 3383.3845 2523 2.9353369e-16 -2213.3374 -2213.3374 -3383.3845 3383.3845 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 = -2213.33738018 -2213.33738018 -2213.33738018 Force two-norm initial, final = 0.0064739 0.0064739 Force max component initial, final = 0.000457864 0.000457864 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186276 (89.7324) Neigh time (%) = 0 (0) Comm time (%) = 1.7643e-05 (0.849891) Outpt time (%) = 0 (0) Other time (%) = 0.000195503 (9.41771) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2350 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2360 2396.4951 -2027.8142 -2027.8142 15327.611 -15327.611 2370 2411.0217 -2029.0329 -2029.0329 14927.076 -14927.076 2380 2410.1306 -2029.2496 -2029.2496 13798.824 -13798.824 2390 2372.3525 -2027.0456 -2027.0456 13427.504 -13427.504 2400 2364.6713 -2026.7955 -2026.7955 14217.027 -14217.027 Loop time of 0.123129 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2400 2364.6713 -2026.7955 -2026.7955 14217.027 -14217.027 2424 2364.6713 -2213.2979 -2213.2979 12851.731 -12851.731 Loop time of 0.0581789 on 1 procs for 24 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.79546123 -2213.28373115 -2213.29785881 Force two-norm initial, final = 69.2435 0.327325 Force max component initial, final = 7.14077 0.0334638 Final line search alpha, max atom move = 0.0548946 0.00183698 Iterations, force evaluations = 24 53 Pair time (%) = 0.176892 (304.048) Neigh time (%) = 0.00334525 (5.74994) Comm time (%) = 0.000966311 (1.66093) Outpt time (%) = 0.000329018 (0.565527) Other time (%) = -0.123353 (-212.024) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.321 -2213.321 -3384.1861 3384.1861 2410 2.836432e-10 -2213.321 -2213.321 -3384.1861 3384.1861 2420 3.1098138e-09 -2213.321 -2213.321 -3384.186 3384.186 2430 1.5180567e-08 -2213.321 -2213.321 -3384.1857 3384.1857 2440 8.1484718e-08 -2213.3211 -2213.3211 -3384.1841 3384.1841 2450 3.1868227e-07 -2213.3212 -2213.3212 -3384.1779 3384.1779 2460 1.4742082e-06 -2213.3219 -2213.3219 -3384.1435 3384.1435 2470 4.7522541e-06 -2213.324 -2213.324 -3383.9891 3383.9891 2480 9.0610068e-06 -2213.3278 -2213.3278 -3383.0735 3383.0735 2490 9.1519447e-06 -2213.331 -2213.331 -3384.4352 3384.4352 2500 1.1552145e-05 -2213.3349 -2213.3349 -3383.2911 3383.2911 2510 4.5662956e-06 -2213.3368 -2213.3368 -3383.0009 3383.0009 2520 4.9010712e-07 -2213.3369 -2213.3369 -3383.1751 3383.1751 2530 5.8035511e-07 -2213.3371 -2213.3371 -3383.4778 3383.4778 2540 1.852955e-07 -2213.3372 -2213.3372 -3383.4037 3383.4037 2550 1.7694187e-08 -2213.3373 -2213.3373 -3383.4912 3383.4912 2560 7.5880623e-08 -2213.3373 -2213.3373 -3383.4058 3383.4058 2570 1.3501378e-07 -2213.3374 -2213.3374 -3383.5101 3383.5101 2571 1.9672117e-07 -2213.3374 -2213.3374 -3383.4633 3383.4633 Loop time of 0.166089 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32101676 -2213.33736148 -2213.33738022 Force two-norm initial, final = 0.573063 0.00910615 Force max component initial, final = 0.0497965 0.000736428 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.151935 (91.4779) Neigh time (%) = 0 (0) Comm time (%) = 0.00134277 (0.808467) Outpt time (%) = 0.00114727 (0.690757) Other time (%) = 0.0116642 (7.02284) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2571 0 -2213.3374 -2213.3374 -3383.4633 3383.4633 2572 5.8075922e-16 -2213.3374 -2213.3374 -3383.4633 3383.4633 Loop time of 0.00206089 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738022 -2213.33738022 -2213.33738022 Force two-norm initial, final = 0.00910615 0.00910615 Force max component initial, final = 0.000736428 0.000736428 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186419 (90.4558) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.775104) Outpt time (%) = 0 (0) Other time (%) = 0.000180721 (8.76909) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2400 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2410 2396.5357 -2027.8133 -2027.8133 15328.051 -15328.051 2420 2410.917 -2029.0315 -2029.0315 14926.519 -14926.519 2430 2409.7759 -2029.2554 -2029.2554 13795.367 -13795.367 2440 2371.6153 -2027.0672 -2027.0672 13419.445 -13419.445 2450 2363.3932 -2026.8415 -2026.8415 14202.831 -14202.831 Loop time of 0.122882 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2450 2363.3932 -2026.8415 -2026.8415 14202.831 -14202.831 2474 2363.3932 -2213.3247 -2213.3247 12844.858 -12844.858 Loop time of 0.0565488 on 1 procs for 24 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.84148942 -2213.3181166 -2213.3246928 Force two-norm initial, final = 69.2313 0.25484 Force max component initial, final = 7.13927 0.0303204 Final line search alpha, max atom move = 0.0625 0.00189502 Iterations, force evaluations = 24 51 Pair time (%) = 0.175061 (309.575) Neigh time (%) = 0.00332022 (5.87142) Comm time (%) = 0.000963926 (1.70459) Outpt time (%) = 0.000324726 (0.57424) Other time (%) = -0.123121 (-217.725) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2450 0 -2213.321 -2213.321 -3384.1861 3384.1861 2460 2.8364326e-10 -2213.321 -2213.321 -3384.1861 3384.1861 2470 3.1098239e-09 -2213.321 -2213.321 -3384.186 3384.186 2480 1.5180929e-08 -2213.321 -2213.321 -3384.1857 3384.1857 2490 8.1493677e-08 -2213.3211 -2213.3211 -3384.1841 3384.1841 2500 3.1886264e-07 -2213.3212 -2213.3212 -3384.1779 3384.1779 2510 1.4776977e-06 -2213.3219 -2213.3219 -3384.1435 3384.1435 2520 4.8194636e-06 -2213.324 -2213.324 -3383.9882 3383.9882 2530 9.8193182e-06 -2213.3279 -2213.3279 -3383.0594 3383.0594 2540 8.8387354e-06 -2213.3311 -2213.3311 -3384.4302 3384.4302 2550 9.7154635e-06 -2213.3347 -2213.3347 -3382.9192 3382.9192 2560 3.3412241e-08 -2213.3358 -2213.3358 -3382.8587 3382.8587 2570 4.8917456e-07 -2213.3361 -2213.3361 -3383.5479 3383.5479 2580 1.0308255e-06 -2213.3367 -2213.3367 -3383.3153 3383.3153 2590 2.9194904e-07 -2213.3372 -2213.3372 -3383.387 3383.387 2600 7.0194424e-08 -2213.3372 -2213.3372 -3383.3886 3383.3886 2610 2.5979612e-07 -2213.3373 -2213.3373 -3383.4474 3383.4474 2620 2.9112498e-09 -2213.3373 -2213.3373 -3383.4318 3383.4318 2630 1.7199688e-08 -2213.3373 -2213.3373 -3383.3685 3383.3685 2633 3.4848443e-08 -2213.3373 -2213.3373 -3383.3888 3383.3888 Loop time of 0.180106 on 1 procs for 183 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32101676 -2213.33733561 -2213.33733889 Force two-norm initial, final = 0.573063 0.00812632 Force max component initial, final = 0.0497965 0.000617123 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 183 183 Pair time (%) = 0.162976 (90.4889) Neigh time (%) = 0 (0) Comm time (%) = 0.00146484 (0.813323) Outpt time (%) = 0.00121498 (0.674593) Other time (%) = 0.0144503 (8.02323) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2633 0 -2213.3373 -2213.3373 -3383.3888 3383.3888 2634 4.6250263e-16 -2213.3373 -2213.3373 -3383.3888 3383.3888 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 = -2213.33733889 -2213.33733889 -2213.33733889 Force two-norm initial, final = 0.00812632 0.00812632 Force max component initial, final = 0.000617123 0.000617123 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186515 (89.7957) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.72314) Outpt time (%) = 0 (0) Other time (%) = 0.000196934 (9.48118) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2350 2388.0608 -2036.9015 -2036.9015 16786.512 -16786.512 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2350 2388.0608 -2036.9015 -2036.9015 16786.512 -16786.512 2360 2332.2762 -2033.5135 -2033.5135 16451.832 -16451.832 2370 2373.1448 -2036.4824 -2036.4824 16517.566 -16517.566 2380 2314.0236 -2032.8075 -2032.8075 16979.187 -16979.187 2390 2354.2204 -2035.6404 -2035.6404 15711.324 -15711.324 2400 2366.8588 -2036.6159 -2036.6159 15411.667 -15411.667 Loop time of 0.123167 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2400 2366.8588 -2036.6159 -2036.6159 15411.667 -15411.667 2422 2366.8588 -2213.2993 -2213.2993 12864.71 -12864.71 Loop time of 0.0494521 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2036.61592603 -2213.28375567 -2213.29928929 Force two-norm initial, final = 68.5711 0.49839 Force max component initial, final = 6.85065 0.0454184 Final line search alpha, max atom move = 0.125 0.0056773 Iterations, force evaluations = 22 43 Pair time (%) = 0.168355 (340.442) Neigh time (%) = 0.00337601 (6.82683) Comm time (%) = 0.00087738 (1.7742) Outpt time (%) = 0.000331879 (0.671112) Other time (%) = -0.123489 (-249.714) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.307 -2213.307 -3381.196 3381.196 2410 2.0004395e-10 -2213.307 -2213.307 -3381.196 3381.196 2420 2.1933817e-09 -2213.307 -2213.307 -3381.1966 3381.1966 2430 1.0710382e-08 -2213.307 -2213.307 -3381.1992 3381.1992 2440 5.7581244e-08 -2213.307 -2213.307 -3381.2132 3381.2132 2450 2.2668669e-07 -2213.3071 -2213.3071 -3381.264 3381.264 2460 1.0811213e-06 -2213.3076 -2213.3076 -3381.5182 3381.5182 2470 3.9795956e-06 -2213.3093 -2213.3093 -3382.3502 3382.3502 2480 1.6651898e-05 -2213.3157 -2213.3157 -3385.158 3385.158 2490 2.4418619e-05 -2213.3259 -2213.3259 -3384.8388 3384.8388 2500 1.7246973e-05 -2213.3334 -2213.3334 -3384.2279 3384.2279 2510 1.5608031e-06 -2213.335 -2213.335 -3385.879 3385.879 2520 7.9257906e-07 -2213.3366 -2213.3366 -3382.9502 3382.9502 2530 9.0501006e-08 -2213.3368 -2213.3368 -3383.5166 3383.5166 2540 6.5559249e-07 -2213.3371 -2213.3371 -3383.0915 3383.0915 2550 1.4101652e-09 -2213.3374 -2213.3374 -3383.2681 3383.2681 2560 2.4031061e-08 -2213.3374 -2213.3374 -3383.4972 3383.4972 2569 1.3037132e-09 -2213.3374 -2213.3374 -3383.3556 3383.3556 Loop time of 0.168042 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30695658 -2213.33738311 -2213.33738329 Force two-norm initial, final = 0.481258 0.00408343 Force max component initial, final = 0.0519303 0.000795001 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.150753 (89.7114) Neigh time (%) = 0 (0) Comm time (%) = 0.00136399 (0.811698) Outpt time (%) = 0.00109363 (0.650805) Other time (%) = 0.0148315 (8.8261) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2569 0 -2213.3374 -2213.3374 -3383.3556 3383.3556 2570 1.1678212e-16 -2213.3374 -2213.3374 -3383.3556 3383.3556 Loop time of 0.00228119 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738329 -2213.33738329 -2213.33738329 Force two-norm initial, final = 0.00408343 0.00408343 Force max component initial, final = 0.000795001 0.000795001 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00200009 (87.6777) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.742057) Outpt time (%) = 0 (0) Other time (%) = 0.000264168 (11.5803) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2400 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2410 2397.7688 -2027.7989 -2027.7989 15339.056 -15339.056 2420 2412.5298 -2028.9664 -2028.9664 14946.895 -14946.895 2430 2411.5919 -2029.1524 -2029.1524 13817.535 -13817.535 2440 2373.4293 -2026.9431 -2026.9431 13436.858 -13436.858 2450 2364.6364 -2026.6897 -2026.6897 14214.301 -14214.301 Loop time of 0.123171 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2450 2364.6364 -2026.6897 -2026.6897 14214.301 -14214.301 2471 2364.6364 -2213.2814 -2213.2814 12862.4 -12862.4 Loop time of 0.0449581 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2026.68971915 -2213.26482473 -2213.2814196 Force two-norm initial, final = 69.2525 0.704352 Force max component initial, final = 7.14223 0.083632 Final line search alpha, max atom move = 0.25 0.020908 Iterations, force evaluations = 21 38 Pair time (%) = 0.164093 (364.992) Neigh time (%) = 0.00335073 (7.45301) Comm time (%) = 0.000834227 (1.85556) Outpt time (%) = 0.000329018 (0.731831) Other time (%) = -0.123649 (-275.032) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2450 0 -2213.307 -2213.307 -3381.196 3381.196 2460 2.0004394e-10 -2213.307 -2213.307 -3381.196 3381.196 2470 2.1933805e-09 -2213.307 -2213.307 -3381.1966 3381.1966 2480 1.071034e-08 -2213.307 -2213.307 -3381.1992 3381.1992 2490 5.7580197e-08 -2213.307 -2213.307 -3381.2132 3381.2132 2500 2.2666486e-07 -2213.3071 -2213.3071 -3381.264 3381.264 2510 1.0806301e-06 -2213.3076 -2213.3076 -3381.5182 3381.5182 2520 3.9641304e-06 -2213.3093 -2213.3093 -3382.3493 3382.3493 2530 1.5621795e-05 -2213.3156 -2213.3156 -3385.1355 3385.1355 2540 2.426192e-05 -2213.3256 -2213.3256 -3384.8631 3384.8631 2550 1.8721068e-05 -2213.3335 -2213.3335 -3384.0707 3384.0707 2560 1.5908789e-06 -2213.3352 -2213.3352 -3383.2836 3383.2836 2570 6.0601039e-07 -2213.3357 -2213.3357 -3383.1848 3383.1848 2580 1.9190906e-06 -2213.3368 -2213.3368 -3383.3328 3383.3328 2590 6.4172873e-09 -2213.3371 -2213.3371 -3383.5004 3383.5004 2600 3.5379082e-08 -2213.3372 -2213.3372 -3383.4473 3383.4473 2610 2.8476747e-07 -2213.3373 -2213.3373 -3383.4218 3383.4218 2620 4.0880535e-09 -2213.3374 -2213.3374 -3383.4058 3383.4058 Loop time of 0.165877 on 1 procs for 170 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30695658 -2213.33736369 -2213.33736423 Force two-norm initial, final = 0.481258 0.00653735 Force max component initial, final = 0.0519303 0.000604999 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 170 170 Pair time (%) = 0.151473 (91.3167) Neigh time (%) = 0 (0) Comm time (%) = 0.00137186 (0.827035) Outpt time (%) = 0.00108075 (0.651538) Other time (%) = 0.011951 (7.20472) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2620 0 -2213.3374 -2213.3374 -3383.4058 3383.4058 2621 2.9931551e-16 -2213.3374 -2213.3374 -3383.4058 3383.4058 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 = -2213.33736423 -2213.33736423 -2213.33736423 Force two-norm initial, final = 0.00653735 0.00653735 Force max component initial, final = 0.000604999 0.000604999 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185895 (90.0242) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.773583) Outpt time (%) = 0 (0) Other time (%) = 0.00019002 (9.20217) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2450 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2460 2394.9564 -2027.829 -2027.829 15314.431 -15314.431 2470 2407.8988 -2029.1194 -2029.1194 14893.014 -14893.014 2480 2405.0352 -2029.4425 -2029.4425 13742.36 -13742.36 2490 2364.9067 -2027.3747 -2027.3747 13348.893 -13348.893 2500 2355.0464 -2027.3166 -2027.3166 14112.379 -14112.379 Loop time of 0.12355 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2500 2355.0464 -2027.3166 -2027.3166 14112.379 -14112.379 2523 2355.0464 -2213.3154 -2213.3154 12789.519 -12789.519 Loop time of 0.0520709 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.31662121 -2213.30142549 -2213.31535072 Force two-norm initial, final = 69.1347 0.476562 Force max component initial, final = 7.12686 0.0601429 Final line search alpha, max atom move = 0.0792886 0.00476864 Iterations, force evaluations = 23 46 Pair time (%) = 0.171269 (328.915) Neigh time (%) = 0.00334787 (6.42946) Comm time (%) = 0.000910997 (1.74953) Outpt time (%) = 0.000351191 (0.674447) Other time (%) = -0.123808 (-237.768) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2500 0 -2213.307 -2213.307 -3381.196 3381.196 2510 2.000438e-10 -2213.307 -2213.307 -3381.196 3381.196 2520 2.1933582e-09 -2213.307 -2213.307 -3381.1966 3381.1966 2530 1.0709544e-08 -2213.307 -2213.307 -3381.1992 3381.1992 2540 5.7560472e-08 -2213.307 -2213.307 -3381.2132 3381.2132 2550 2.262689e-07 -2213.3071 -2213.3071 -3381.264 3381.264 2560 1.0730612e-06 -2213.3076 -2213.3076 -3381.5175 3381.5175 2570 3.8266023e-06 -2213.3093 -2213.3093 -3382.3391 3382.3391 2580 1.3936068e-05 -2213.3154 -2213.3154 -3385.0517 3385.0517 2590 2.8634856e-05 -2213.3257 -2213.3257 -3384.7103 3384.7103 2600 2.0656217e-05 -2213.3335 -2213.3335 -3383.2154 3383.2154 2610 2.4277057e-06 -2213.3349 -2213.3349 -3384.7595 3384.7595 2620 7.7011958e-07 -2213.3364 -2213.3364 -3383.7771 3383.7771 2630 1.5066237e-07 -2213.3364 -2213.3364 -3383.4852 3383.4852 2640 7.8552198e-07 -2213.3369 -2213.3369 -3383.6319 3383.6319 2650 2.6112566e-08 -2213.3372 -2213.3372 -3383.4402 3383.4402 2660 2.0785205e-09 -2213.3373 -2213.3373 -3383.4058 3383.4058 2670 4.3920901e-08 -2213.3373 -2213.3373 -3383.4092 3383.4092 2675 9.2196853e-08 -2213.3373 -2213.3373 -3383.4054 3383.4054 Loop time of 0.173265 on 1 procs for 175 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30695658 -2213.33733372 -2213.3373445 Force two-norm initial, final = 0.481258 0.0076581 Force max component initial, final = 0.0519303 0.000537883 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 175 175 Pair time (%) = 0.156017 (90.0454) Neigh time (%) = 0 (0) Comm time (%) = 0.00139618 (0.805806) Outpt time (%) = 0.00114965 (0.663524) Other time (%) = 0.0147021 (8.48532) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2675 0 -2213.3373 -2213.3373 -3383.4055 3383.4055 2676 4.1074149e-16 -2213.3373 -2213.3373 -3383.4055 3383.4055 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 = -2213.3373445 -2213.3373445 -2213.3373445 Force two-norm initial, final = 0.0076581 0.0076581 Force max component initial, final = 0.000537883 0.000537883 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186396 (90.2667) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.831313) Outpt time (%) = 0 (0) Other time (%) = 0.000183821 (8.90197) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2500 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2510 2391.4652 -2027.8678 -2027.8678 15283.588 -15283.588 2520 2402.7061 -2029.3067 -2029.3067 14830.477 -14830.477 2530 2398.2796 -2029.7706 -2029.7706 13663.228 -13663.228 2540 2356.7527 -2027.8259 -2027.8259 13266.674 -13266.674 2550 2346.753 -2027.9392 -2027.9392 14026.791 -14026.791 Loop time of 0.122875 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 2550 2346.753 -2027.9392 -2027.9392 14026.791 -14026.791 2571 2346.753 -2213.2673 -2213.2673 12723.499 -12723.499 Loop time of 0.0448701 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.93924176 -2213.25177421 -2213.26731374 Force two-norm initial, final = 69.026 0.525215 Force max component initial, final = 7.11239 0.0927091 Final line search alpha, max atom move = 0.0831874 0.00771223 Iterations, force evaluations = 21 38 Pair time (%) = 0.163606 (364.621) Neigh time (%) = 0.00334001 (7.44372) Comm time (%) = 0.000850677 (1.89587) Outpt time (%) = 0.000330687 (0.736986) Other time (%) = -0.123257 (-274.698) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.26612 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.307 -2213.307 -3381.196 3381.196 2560 2.0004381e-10 -2213.307 -2213.307 -3381.196 3381.196 2570 2.1933605e-09 -2213.307 -2213.307 -3381.1966 3381.1966 2580 1.0709626e-08 -2213.307 -2213.307 -3381.1992 3381.1992 2590 5.7562489e-08 -2213.307 -2213.307 -3381.2132 3381.2132 2600 2.263089e-07 -2213.3071 -2213.3071 -3381.264 3381.264 2610 1.0737818e-06 -2213.3076 -2213.3076 -3381.5175 3381.5175 2620 3.8364628e-06 -2213.3093 -2213.3093 -3382.34 3382.34 2630 1.3866312e-05 -2213.3154 -2213.3154 -3385.0537 3385.0537 2640 2.5352756e-05 -2213.3255 -2213.3255 -3384.8339 3384.8339 2650 2.0933612e-05 -2213.3336 -2213.3336 -3383.4745 3383.4745 2660 1.0080976e-06 -2213.3364 -2213.3364 -3383.5712 3383.5712 2670 3.4125793e-07 -2213.3369 -2213.3369 -3383.2473 3383.2473 2680 7.4562127e-07 -2213.3373 -2213.3373 -3383.3021 3383.3021 2690 3.877937e-08 -2213.3374 -2213.3374 -3383.3951 3383.3951 2700 1.2156727e-08 -2213.3374 -2213.3374 -3383.3949 3383.3949 2708 3.2171841e-08 -2213.3374 -2213.3374 -3383.3866 3383.3866 Loop time of 0.154698 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30695658 -2213.33738455 -2213.33738579 Force two-norm initial, final = 0.481258 0.0029054 Force max component initial, final = 0.0519303 0.000564911 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.1408 (91.0158) Neigh time (%) = 0 (0) Comm time (%) = 0.00125074 (0.808507) Outpt time (%) = 0.00101686 (0.657317) Other time (%) = 0.0116308 (7.51838) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 2708 0 -2213.3374 -2213.3374 -3383.3866 3383.3866 2709 5.9120627e-17 -2213.3374 -2213.3374 -3383.3866 3383.3866 Loop time of 0.00211096 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738579 -2213.33738579 -2213.33738579 Force two-norm initial, final = 0.0029054 0.0029054 Force max component initial, final = 0.000564911 0.000564911 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187016 (88.5927) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.745426) Outpt time (%) = 0 (0) Other time (%) = 0.000225067 (10.6618) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 2550 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2560 2389.4145 -2027.8916 -2027.8916 15265.314 -15265.314 2570 2399.9341 -2029.4154 -2029.4154 14795.917 -14795.917 2580 2394.9514 -2029.9476 -2029.9476 13623.449 -13623.449 2590 2353.0258 -2028.0517 -2028.0517 13230.376 -13230.376 2600 2343.4006 -2028.2365 -2028.2365 13993.758 -13993.758 Loop time of 0.122853 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.95276 Mbytes Step Temp PotEng pe Press press 2600 2343.4006 -2028.2365 -2028.2365 13993.758 -13993.758 2622 2343.4006 -2213.2972 -2213.2972 12713.264 -12713.264 Loop time of 0.0492451 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.236535 -2213.27970832 -2213.29715986 Force two-norm initial, final = 68.9784 0.771622 Force max component initial, final = 7.10589 0.100533 Final line search alpha, max atom move = 0.058782 0.00590951 Iterations, force evaluations = 22 43 Pair time (%) = 0.167918 (340.983) Neigh time (%) = 0.00331807 (6.73787) Comm time (%) = 0.000881672 (1.79037) Outpt time (%) = 0.000329018 (0.668122) Other time (%) = -0.123201 (-250.18) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.76203 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.307 -2213.307 -3381.196 3381.196 2610 2.0004389e-10 -2213.307 -2213.307 -3381.196 3381.196 2620 2.1933727e-09 -2213.307 -2213.307 -3381.1966 3381.1966 2630 1.071006e-08 -2213.307 -2213.307 -3381.1992 3381.1992 2640 5.7573255e-08 -2213.307 -2213.307 -3381.2132 3381.2132 2650 2.2652532e-07 -2213.3071 -2213.3071 -3381.264 3381.264 2660 1.0779463e-06 -2213.3076 -2213.3076 -3381.5179 3381.5179 2670 3.9142347e-06 -2213.3093 -2213.3093 -3382.3456 3382.3456 2680 1.5114392e-05 -2213.3155 -2213.3155 -3385.1063 3385.1063 2690 2.8625912e-05 -2213.3259 -2213.3259 -3384.668 3384.668 2700 1.8412754e-05 -2213.3334 -2213.3334 -3383.9654 3383.9654 2710 1.8345337e-06 -2213.3348 -2213.3348 -3385.9556 3385.9556 2720 9.1563462e-07 -2213.3366 -2213.3366 -3382.9311 3382.9311 2730 9.7301807e-08 -2213.3368 -2213.3368 -3383.5275 3383.5275 2740 6.4737197e-07 -2213.3371 -2213.3371 -3383.0593 3383.0593 2750 1.2298596e-09 -2213.3374 -2213.3374 -3383.3746 3383.3746 2760 8.3467142e-10 -2213.3374 -2213.3374 -3383.4042 3383.4042 2764 3.443713e-09 -2213.3374 -2213.3374 -3383.3987 3383.3987 Loop time of 0.15987 on 1 procs for 164 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30695658 -2213.33737717 -2213.3373776 Force two-norm initial, final = 0.481258 0.00911981 Force max component initial, final = 0.0519303 0.00251114 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 164 164 Pair time (%) = 0.145958 (91.2978) Neigh time (%) = 0 (0) Comm time (%) = 0.0013268 (0.829924) Outpt time (%) = 0.0010674 (0.667668) Other time (%) = 0.011518 (7.20461) 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 = 6.76203 Mbytes Step Temp PotEng pe Press press 2764 0 -2213.3374 -2213.3374 -3383.3987 3383.3987 2765 5.8250193e-16 -2213.3374 -2213.3374 -3383.3987 3383.3987 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 = -2213.3373776 -2213.3373776 -2213.3373776 Force two-norm initial, final = 0.00911981 0.00911981 Force max component initial, final = 0.00251114 0.00251114 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185919 (90.1711) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.820999) Outpt time (%) = 0 (0) Other time (%) = 0.000185728 (9.00786) 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 = 6.76203 Mbytes Step Temp PotEng pe Press press 2450 2364.6364 -2026.6897 -2026.6897 14214.301 -14214.301 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2450 2364.6364 -2026.6897 -2026.6897 14214.301 -14214.301 2460 2405.7822 -2030.219 -2030.219 14240.801 -14240.801 2470 2334.4086 -2026.3216 -2026.3216 13265.791 -13265.791 2480 2325.0637 -2026.4365 -2026.4365 11282.319 -11282.319 2490 2371.2478 -2030.1612 -2030.1612 11600.19 -11600.19 2500 2290.6469 -2025.4626 -2025.4626 14075.039 -14075.039 Loop time of 0.123736 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2500 2290.6469 -2025.4626 -2025.4626 14075.039 -14075.039 2520 2290.6469 -2213.2185 -2213.2185 12340.847 -12340.847 Loop time of 0.0424299 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.46264722 -2213.19693827 -2213.21848611 Force two-norm initial, final = 69.8765 0.704414 Force max component initial, final = 5.70526 0.106027 Final line search alpha, max atom move = 0.04117 0.00436515 Iterations, force evaluations = 20 35 Pair time (%) = 0.162781 (383.646) Neigh time (%) = 0.00266933 (6.29116) Comm time (%) = 0.000806332 (1.90038) Outpt time (%) = 0.000327349 (0.771504) Other time (%) = -0.124154 (-292.609) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 4.77839 Mbytes Step Temp PotEng pe Press press 2500 0 -2213.2814 -2213.2814 -3378.0814 3378.0814 2510 4.28497e-10 -2213.2814 -2213.2814 -3378.0816 3378.0816 2520 4.6979876e-09 -2213.2814 -2213.2814 -3378.0836 3378.0836 2530 2.2933574e-08 -2213.2814 -2213.2814 -3378.0927 3378.0927 2540 1.231136e-07 -2213.2815 -2213.2815 -3378.1426 3378.1426 2550 4.8161652e-07 -2213.2817 -2213.2817 -3378.3235 3378.3235 2560 2.2324026e-06 -2213.2828 -2213.2828 -3379.2231 3379.2231 2570 7.2388015e-06 -2213.2859 -2213.2859 -3382.1059 3382.1059 2580 1.5652445e-05 -2213.2928 -2213.2928 -3390.8481 3390.8481 2590 2.3898622e-05 -2213.3017 -2213.3017 -3386.8529 3386.8529 2600 5.6129071e-05 -2213.3264 -2213.3264 -3383.9269 3383.9269 2610 8.3039605e-06 -2213.3319 -2213.3319 -3373.9372 3373.9372 2620 4.6844991e-06 -2213.337 -2213.337 -3383.6312 3383.6312 2630 1.0350727e-07 -2213.3371 -2213.3371 -3382.6865 3382.6865 2640 2.6919698e-07 -2213.3372 -2213.3372 -3383.3026 3383.3026 2650 5.0464539e-07 -2213.3374 -2213.3374 -3383.5264 3383.5264 2660 2.2423524e-09 -2213.3374 -2213.3374 -3383.5381 3383.5381 2670 6.8531257e-09 -2213.3374 -2213.3374 -3383.3649 3383.3649 2672 1.1344528e-08 -2213.3374 -2213.3374 -3383.3957 3383.3957 Loop time of 0.168498 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2814196 -2213.337373 -2213.33737427 Force two-norm initial, final = 0.704352 0.00621132 Force max component initial, final = 0.083632 0.000505734 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.153493 (91.0946) Neigh time (%) = 0 (0) Comm time (%) = 0.00137806 (0.817849) Outpt time (%) = 0.00115991 (0.68838) Other time (%) = 0.0124674 (7.39913) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2672 0 -2213.3374 -2213.3374 -3383.3957 3383.3957 2680 1.865927e-14 -2213.3374 -2213.3374 -3383.3957 3383.3957 2690 2.3549925e-13 -2213.3374 -2213.3374 -3383.3957 3383.3957 2700 1.3080884e-12 -2213.3374 -2213.3374 -3383.3957 3383.3957 2710 6.7538123e-12 -2213.3374 -2213.3374 -3383.3958 3383.3958 2713 1.1259283e-11 -2213.3374 -2213.3374 -3383.3959 3383.3959 Loop time of 0.0408039 on 1 procs for 41 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737427 -2213.33737428 -2213.33737428 Force two-norm initial, final = 0.00621132 0.006196 Force max component initial, final = 0.000505734 0.000504113 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 41 41 Pair time (%) = 0.0372348 (91.253) Neigh time (%) = 0 (0) Comm time (%) = 0.000338554 (0.829711) Outpt time (%) = 0.000272036 (0.66669) Other time (%) = 0.00295854 (7.25062) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2500 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2510 2391.9043 -2027.8647 -2027.8647 15287.156 -15287.156 2520 2403.9271 -2029.2805 -2029.2805 14842.762 -14842.762 2530 2400.4681 -2029.6971 -2029.6971 13687.095 -13687.095 2540 2360.0551 -2027.687 -2027.687 13302.522 -13302.522 2550 2351.1189 -2027.7146 -2027.7146 14075.035 -14075.035 Loop time of 0.123728 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2550 2351.1189 -2027.7146 -2027.7146 14075.035 -14075.035 2571 2351.1189 -2213.2662 -2213.2662 12756.035 -12756.035 Loop time of 0.0460532 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.71457352 -2213.25268374 -2213.26622677 Force two-norm initial, final = 69.075 0.345064 Force max component initial, final = 7.11859 0.0373438 Final line search alpha, max atom move = 0.0502217 0.00187547 Iterations, force evaluations = 21 39 Pair time (%) = 0.200899 (436.233) Neigh time (%) = 0.00337267 (7.32342) Comm time (%) = 0.00119877 (2.60301) Outpt time (%) = 0.000601053 (1.30513) Other time (%) = -0.160018 (-347.465) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.2814 -2213.2814 -3378.0814 3378.0814 2560 4.2849711e-10 -2213.2814 -2213.2814 -3378.0816 3378.0816 2570 4.6980057e-09 -2213.2814 -2213.2814 -3378.0836 3378.0836 2580 2.293422e-08 -2213.2814 -2213.2814 -3378.0927 3378.0927 2590 1.2312959e-07 -2213.2815 -2213.2815 -3378.1426 3378.1426 2600 4.819363e-07 -2213.2817 -2213.2817 -3378.3235 3378.3235 2610 2.2384021e-06 -2213.2828 -2213.2828 -3379.224 3379.224 2620 7.338941e-06 -2213.286 -2213.286 -3382.1198 3382.1198 2630 1.62018e-05 -2213.2929 -2213.2929 -3390.9425 3390.9425 2640 2.1792598e-05 -2213.3015 -2213.3015 -3387.1555 3387.1555 2650 5.0838057e-05 -2213.3251 -2213.3251 -3386.205 3386.205 2660 5.2914378e-06 -2213.3336 -2213.3336 -3378.1742 3378.1742 2670 2.7579786e-06 -2213.3371 -2213.3371 -3383.3033 3383.3033 2680 6.738777e-08 -2213.3372 -2213.3372 -3382.8455 3382.8455 2690 1.8463294e-07 -2213.3372 -2213.3372 -3383.2776 3383.2776 2700 3.018692e-07 -2213.3374 -2213.3374 -3383.6001 3383.6001 2708 2.9423882e-10 -2213.3374 -2213.3374 -3383.4866 3383.4866 Loop time of 0.15756 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2814196 -2213.33737312 -2213.33737321 Force two-norm initial, final = 0.704352 0.00979109 Force max component initial, final = 0.083632 0.000808431 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.140952 (89.4594) Neigh time (%) = 0 (0) Comm time (%) = 0.00127077 (0.806531) Outpt time (%) = 0.00102997 (0.653699) Other time (%) = 0.014307 (9.08036) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2708 0 -2213.3374 -2213.3374 -3383.4866 3383.4866 2709 6.7141083e-16 -2213.3374 -2213.3374 -3383.4866 3383.4866 Loop time of 0.00212097 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737321 -2213.33737321 -2213.33737321 Force two-norm initial, final = 0.00979109 0.00979109 Force max component initial, final = 0.000808431 0.000808431 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00189018 (89.1187) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.764388) Outpt time (%) = 0 (0) Other time (%) = 0.000214577 (10.1169) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2550 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2560 2391.6764 -2027.8669 -2027.8669 15285.212 -15285.212 2570 2403.4434 -2029.2934 -2029.2934 14837.556 -14837.556 2580 2399.6464 -2029.7269 -2029.7269 13678.086 -13678.086 2590 2358.8034 -2027.74 -2027.74 13289.325 -13289.325 2600 2349.4116 -2027.8013 -2027.8013 14056.515 -14056.515 Loop time of 0.123467 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2600 2349.4116 -2027.8013 -2027.8013 14056.515 -14056.515 2621 2349.4116 -2213.2668 -2213.2668 12744.08 -12744.08 Loop time of 0.0459111 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.80126767 -2213.2547417 -2213.26682443 Force two-norm initial, final = 69.0563 0.430468 Force max component initial, final = 7.11621 0.0352718 Final line search alpha, max atom move = 0.0625 0.00220449 Iterations, force evaluations = 21 39 Pair time (%) = 0.165205 (359.837) Neigh time (%) = 0.00334215 (7.27962) Comm time (%) = 0.000854969 (1.86223) Outpt time (%) = 0.00033617 (0.73222) Other time (%) = -0.123827 (-269.712) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.2814 -2213.2814 -3378.0814 3378.0814 2610 4.2849718e-10 -2213.2814 -2213.2814 -3378.0816 3378.0816 2620 4.6980157e-09 -2213.2814 -2213.2814 -3378.0836 3378.0836 2630 2.293458e-08 -2213.2814 -2213.2814 -3378.0927 3378.0927 2640 1.2313848e-07 -2213.2815 -2213.2815 -3378.1426 3378.1426 2650 4.8211426e-07 -2213.2817 -2213.2817 -3378.3236 3378.3236 2660 2.2417512e-06 -2213.2828 -2213.2828 -3379.2246 3379.2246 2670 7.3963769e-06 -2213.286 -2213.286 -3382.1277 3382.1277 2680 1.6617504e-05 -2213.2929 -2213.2929 -3390.9999 3390.9999 2690 2.1477775e-05 -2213.3015 -2213.3015 -3387.2029 3387.2029 2700 4.9736341e-05 -2213.325 -2213.325 -3386.627 3386.627 2710 6.6750642e-06 -2213.3355 -2213.3355 -3383.608 3383.608 2720 6.6080341e-07 -2213.3356 -2213.3356 -3383.0167 3383.0167 2730 1.0729542e-06 -2213.3361 -2213.3361 -3383.1093 3383.1093 2740 3.0952747e-06 -2213.3366 -2213.3366 -3380.4717 3380.4717 2750 4.0449443e-08 -2213.3372 -2213.3372 -3383.5972 3383.5972 2760 1.4355476e-07 -2213.3372 -2213.3372 -3383.818 3383.818 2770 4.0105041e-08 -2213.3373 -2213.3373 -3383.8321 3383.8321 2772 1.1653733e-07 -2213.3374 -2213.3374 -3383.4539 3383.4539 Loop time of 0.170999 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2814196 -2213.33734721 -2213.33735984 Force two-norm initial, final = 0.704352 0.00926319 Force max component initial, final = 0.083632 0.000866226 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.153544 (89.7921) Neigh time (%) = 0 (0) Comm time (%) = 0.00142694 (0.83447) Outpt time (%) = 0.00115705 (0.676638) Other time (%) = 0.0148714 (8.69675) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2772 0 -2213.3374 -2213.3374 -3383.4539 3383.4539 2773 6.0096295e-16 -2213.3374 -2213.3374 -3383.4539 3383.4539 Loop time of 0.0021441 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735984 -2213.33735984 -2213.33735984 Force two-norm initial, final = 0.00926319 0.00926319 Force max component initial, final = 0.000866226 0.000866226 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187325 (87.368) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.789503) Outpt time (%) = 0 (0) Other time (%) = 0.000253916 (11.8425) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2500 2290.6469 -2025.4626 -2025.4626 14075.039 -14075.039 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2500 2290.6469 -2025.4626 -2025.4626 14075.039 -14075.039 2510 2297.5821 -2026.5091 -2026.5091 14073.29 -14073.29 2520 2445.8237 -2036.8214 -2036.8214 14432.071 -14432.071 2530 2500.8478 -2041.1155 -2041.1155 14997.267 -14997.267 2540 2359.903 -2032.6103 -2032.6103 16172.382 -16172.382 2550 2345.8682 -2032.5017 -2032.5017 15431.88 -15431.88 Loop time of 0.12265 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2550 2345.8682 -2032.5017 -2032.5017 15431.88 -15431.88 2572 2345.8682 -2213.3 -2213.3 12723.956 -12723.956 Loop time of 0.0544801 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2032.50174972 -2213.281521 -2213.2999915 Force two-norm initial, final = 69.4604 0.53269 Force max component initial, final = 6.53395 0.0661065 Final line search alpha, max atom move = 0.061769 0.00408333 Iterations, force evaluations = 22 48 Pair time (%) = 0.173529 (318.518) Neigh time (%) = 0.00266075 (4.8839) Comm time (%) = 0.000895739 (1.64416) Outpt time (%) = 0.000337839 (0.620115) Other time (%) = -0.122943 (-225.666) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.2185 -2213.2185 -3391.4696 3391.4696 2560 4.2857314e-10 -2213.2185 -2213.2185 -3391.4697 3391.4697 2570 4.6990197e-09 -2213.2185 -2213.2185 -3391.47 3391.47 2580 2.2943412e-08 -2213.2185 -2213.2185 -3391.4717 3391.4717 2590 1.2329819e-07 -2213.2186 -2213.2186 -3391.4807 3391.4807 2600 4.8443616e-07 -2213.2188 -2213.2188 -3391.5134 3391.5134 2610 2.2919229e-06 -2213.2199 -2213.2199 -3391.6741 3391.6741 2620 8.0958711e-06 -2213.2234 -2213.2234 -3392.1675 3392.1675 2630 2.8196929e-05 -2213.2357 -2213.2357 -3393.3947 3393.3947 2640 5.9722666e-05 -2213.2592 -2213.2592 -3392.3116 3392.3116 2650 0.00012798093 -2213.3163 -2213.3163 -3384.5281 3384.5281 2660 3.4246317e-06 -2213.333 -2213.333 -3381.4695 3381.4695 2670 1.3404307e-06 -2213.336 -2213.336 -3383.8129 3383.8129 2680 1.5076722e-06 -2213.3365 -2213.3365 -3383.4983 3383.4983 2690 6.1239695e-07 -2213.337 -2213.337 -3383.0948 3383.0948 2700 1.0311296e-07 -2213.3371 -2213.3371 -3383.4367 3383.4367 2710 2.6294704e-07 -2213.3372 -2213.3372 -3383.6036 3383.6036 2720 1.6904733e-08 -2213.3373 -2213.3373 -3383.4221 3383.4221 2730 9.6147927e-08 -2213.3373 -2213.3373 -3383.3538 3383.3538 2731 1.1665408e-07 -2213.3374 -2213.3374 -3383.3828 3383.3828 Loop time of 0.175804 on 1 procs for 181 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.21848611 -2213.33733904 -2213.33735066 Force two-norm initial, final = 0.704414 0.00829722 Force max component initial, final = 0.106027 0.000918142 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.161448 (91.834) Neigh time (%) = 0 (0) Comm time (%) = 0.0014534 (0.826715) Outpt time (%) = 0.00121784 (0.692727) Other time (%) = 0.0116849 (6.64654) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2731 0 -2213.3374 -2213.3374 -3383.3828 3383.3828 2732 4.8216053e-16 -2213.3374 -2213.3374 -3383.3828 3383.3828 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 = -2213.33735066 -2213.33735066 -2213.33735066 Force two-norm initial, final = 0.00829722 0.00829722 Force max component initial, final = 0.000918142 0.000918142 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187492 (90.3181) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.780981) Outpt time (%) = 0 (0) Other time (%) = 0.000184774 (8.90088) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2550 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2560 2388.4936 -2027.9003 -2027.9003 15257.446 -15257.446 2570 2397.9433 -2029.4677 -2029.4677 14774.602 -14774.602 2580 2391.4516 -2030.0708 -2030.0708 13585.461 -13585.461 2590 2347.5405 -2028.2768 -2028.2768 13172.655 -13172.655 2600 2335.735 -2028.6136 -2028.6136 13910.482 -13910.482 Loop time of 0.123124 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2600 2335.735 -2028.6136 -2028.6136 13910.482 -13910.482 2622 2335.735 -2213.2971 -2213.2971 12658.902 -12658.902 Loop time of 0.048476 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.61364284 -2213.2801924 -2213.29711694 Force two-norm initial, final = 68.8949 0.587498 Force max component initial, final = 7.09529 0.155853 Final line search alpha, max atom move = 0.0793552 0.0123677 Iterations, force evaluations = 22 42 Pair time (%) = 0.167382 (345.289) Neigh time (%) = 0.00333691 (6.88363) Comm time (%) = 0.000886202 (1.82813) Outpt time (%) = 0.000329733 (0.680199) Other time (%) = -0.123459 (-254.681) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.2185 -2213.2185 -3391.4696 3391.4696 2610 4.2857313e-10 -2213.2185 -2213.2185 -3391.4697 3391.4697 2620 4.6990181e-09 -2213.2185 -2213.2185 -3391.47 3391.47 2630 2.2943353e-08 -2213.2185 -2213.2185 -3391.4717 3391.4717 2640 1.2329674e-07 -2213.2186 -2213.2186 -3391.4807 3391.4807 2650 4.8440832e-07 -2213.2188 -2213.2188 -3391.5134 3391.5134 2660 2.291499e-06 -2213.2199 -2213.2199 -3391.674 3391.674 2670 8.0962066e-06 -2213.2234 -2213.2234 -3392.1675 3392.1675 2680 2.8821882e-05 -2213.2358 -2213.2358 -3393.3958 3393.3958 2690 6.1741045e-05 -2213.2599 -2213.2599 -3392.2466 3392.2466 2700 0.00012228753 -2213.3156 -2213.3156 -3384.7012 3384.7012 2710 2.4826137e-06 -2213.3358 -2213.3358 -3383.1849 3383.1849 2720 8.1166879e-07 -2213.3368 -2213.3368 -3383.6126 3383.6126 2730 5.1676527e-08 -2213.3368 -2213.3368 -3383.2406 3383.2406 2740 1.9675341e-07 -2213.337 -2213.337 -3383.5085 3383.5085 2750 3.9528118e-07 -2213.3372 -2213.3372 -3383.2476 3383.2476 2760 9.6863037e-08 -2213.3373 -2213.3373 -3383.4148 3383.4148 2770 1.2787633e-08 -2213.3374 -2213.3374 -3383.4065 3383.4065 2780 4.255753e-08 -2213.3374 -2213.3374 -3383.4298 3383.4298 2790 3.9710187e-09 -2213.3374 -2213.3374 -3383.4071 3383.4071 2792 7.5235864e-09 -2213.3374 -2213.3374 -3383.399 3383.399 Loop time of 0.187818 on 1 procs for 192 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.21848611 -2213.33738042 -2213.3373814 Force two-norm initial, final = 0.704414 0.00369624 Force max component initial, final = 0.106027 0.00031366 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 192 192 Pair time (%) = 0.171157 (91.1292) Neigh time (%) = 0 (0) Comm time (%) = 0.00154519 (0.822706) Outpt time (%) = 0.00127816 (0.680532) Other time (%) = 0.0138376 (7.36754) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2792 0 -2213.3374 -2213.3374 -3383.399 3383.399 2800 6.6076545e-15 -2213.3374 -2213.3374 -3383.399 3383.399 2810 8.3397064e-14 -2213.3374 -2213.3374 -3383.399 3383.399 2820 4.6328533e-13 -2213.3374 -2213.3374 -3383.399 3383.399 2830 2.3933079e-12 -2213.3374 -2213.3374 -3383.399 3383.399 2840 1.0114822e-11 -2213.3374 -2213.3374 -3383.399 3383.399 2850 4.5798886e-11 -2213.3374 -2213.3374 -3383.399 3383.399 2860 1.7768167e-10 -2213.3374 -2213.3374 -3383.3989 3383.3989 2870 7.021824e-10 -2213.3374 -2213.3374 -3383.3987 3383.3987 2880 2.2862284e-09 -2213.3374 -2213.3374 -3383.3979 3383.3979 2890 6.7949227e-09 -2213.3374 -2213.3374 -3383.3941 3383.3941 2900 4.7472014e-12 -2213.3374 -2213.3374 -3383.3922 3383.3922 2910 1.1826612e-10 -2213.3374 -2213.3374 -3383.3929 3383.3929 2920 3.1472474e-10 -2213.3374 -2213.3374 -3383.3873 3383.3873 2930 5.9187274e-11 -2213.3374 -2213.3374 -3383.3955 3383.3955 2940 2.7311099e-13 -2213.3374 -2213.3374 -3383.395 3383.395 2941 3.9391473e-13 -2213.3374 -2213.3374 -3383.395 3383.395 Loop time of 0.144749 on 1 procs for 149 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373814 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00369624 4.78355e-05 Force max component initial, final = 0.00031366 3.90336e-06 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 149 149 Pair time (%) = 0.132182 (91.3184) Neigh time (%) = 0 (0) Comm time (%) = 0.00119662 (0.826689) Outpt time (%) = 0.00100851 (0.696731) Other time (%) = 0.0103614 (7.15821) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2600 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2610 2384.1454 -2027.948 -2027.948 15219.15 -15219.15 2620 2391.2819 -2029.7016 -2029.7016 14695.246 -14695.246 2630 2382.6674 -2030.4898 -2030.4898 13482.85 -13482.85 2640 2336.9747 -2028.861 -2028.861 13065.007 -13065.007 2650 2325.2127 -2029.4158 -2029.4158 13801.209 -13801.209 Loop time of 0.123106 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2650 2325.2127 -2029.4158 -2029.4158 13801.209 -13801.209 2670 2325.2127 -2213.2674 -2213.2674 12581.173 -12581.173 Loop time of 0.0421751 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2029.41575469 -2213.2488983 -2213.26741921 Force two-norm initial, final = 68.7534 0.613231 Force max component initial, final = 7.07645 0.0841613 Final line search alpha, max atom move = 0.0726548 0.00611472 Iterations, force evaluations = 20 35 Pair time (%) = 0.291525 (691.227) Neigh time (%) = 0.00333023 (7.89621) Comm time (%) = 0.00199842 (4.7384) Outpt time (%) = 0.00134039 (3.17816) Other time (%) = -0.256019 (-607.04) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.2185 -2213.2185 -3391.4696 3391.4696 2660 4.2857304e-10 -2213.2185 -2213.2185 -3391.4697 3391.4697 2670 4.6990044e-09 -2213.2185 -2213.2185 -3391.47 3391.47 2680 2.2942865e-08 -2213.2185 -2213.2185 -3391.4717 3391.4717 2690 1.2328464e-07 -2213.2186 -2213.2186 -3391.4807 3391.4807 2700 4.8416531e-07 -2213.2188 -2213.2188 -3391.5134 3391.5134 2710 2.2868411e-06 -2213.2199 -2213.2199 -3391.6739 3391.6739 2720 8.0104623e-06 -2213.2234 -2213.2234 -3392.1658 3392.1658 2730 2.7362839e-05 -2213.2356 -2213.2356 -3393.3883 3393.3883 2740 6.287476e-05 -2213.2593 -2213.2593 -3392.2855 3392.2855 2750 0.00013050831 -2213.3165 -2213.3165 -3384.5272 3384.5272 2760 3.2489048e-06 -2213.3355 -2213.3355 -3382.6972 3382.6972 2770 1.1170246e-06 -2213.3366 -2213.3366 -3383.7739 3383.7739 2780 6.0268749e-08 -2213.3367 -2213.3367 -3383.2666 3383.2666 2790 2.5905493e-07 -2213.3368 -2213.3368 -3383.5637 3383.5637 2800 6.5736836e-07 -2213.3372 -2213.3372 -3383.4019 3383.4019 2810 1.5935503e-07 -2213.3373 -2213.3373 -3383.5421 3383.5421 2820 1.6882122e-08 -2213.3374 -2213.3374 -3383.3716 3383.3716 2825 3.4641151e-08 -2213.3374 -2213.3374 -3383.383 3383.383 Loop time of 0.169769 on 1 procs for 175 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.21848611 -2213.33736129 -2213.33736551 Force two-norm initial, final = 0.704414 0.00713556 Force max component initial, final = 0.106027 0.000681092 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 175 175 Pair time (%) = 0.156029 (91.9065) Neigh time (%) = 0 (0) Comm time (%) = 0.00142956 (0.84206) Outpt time (%) = 0.00116014 (0.683366) Other time (%) = 0.0111506 (6.5681) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2825 0 -2213.3374 -2213.3374 -3383.383 3383.383 2826 3.5660113e-16 -2213.3374 -2213.3374 -3383.383 3383.383 Loop time of 0.00209379 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736551 -2213.33736551 -2213.33736551 Force two-norm initial, final = 0.00713556 0.00713556 Force max component initial, final = 0.000681092 0.000681092 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186181 (88.9205) Neigh time (%) = 0 (0) Comm time (%) = 1.38283e-05 (0.660442) Outpt time (%) = 0 (0) Other time (%) = 0.000218153 (10.419) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2550 2345.8682 -2032.5017 -2032.5017 15431.88 -15431.88 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2550 2345.8682 -2032.5017 -2032.5017 15431.88 -15431.88 2560 2383.8815 -2036.3159 -2036.3159 14440.241 -14440.241 2570 2377.7616 -2037.2229 -2037.2229 13761.07 -13761.07 2580 2281.2512 -2032.055 -2032.055 14922.039 -14922.039 2590 2279.0532 -2032.9481 -2032.9481 13609.845 -13609.845 2600 2203.5753 -2028.7603 -2028.7603 12536.748 -12536.748 Loop time of 0.122778 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2600 2203.5753 -2028.7603 -2028.7603 12536.748 -12536.748 2623 2203.5753 -2213.3129 -2213.3129 11749.262 -11749.262 Loop time of 0.0610392 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2028.76028029 -2213.29229062 -2213.31286621 Force two-norm initial, final = 69.4409 0.558296 Force max component initial, final = 5.78926 0.0508422 Final line search alpha, max atom move = 0.0827779 0.00420861 Iterations, force evaluations = 23 56 Pair time (%) = 0.179371 (293.862) Neigh time (%) = 0.00331712 (5.4344) Comm time (%) = 0.000988007 (1.61864) Outpt time (%) = 0.00032711 (0.535902) Other time (%) = -0.122964 (-201.451) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.3 -2213.3 -3387.6237 3387.6237 2610 2.4508625e-10 -2213.3 -2213.3 -3387.6237 3387.6237 2620 2.6872e-09 -2213.3 -2213.3 -3387.6238 3387.6238 2630 1.3120345e-08 -2213.3 -2213.3 -3387.6239 3387.6239 2640 7.0503834e-08 -2213.3 -2213.3 -3387.6246 3387.6246 2650 2.7693889e-07 -2213.3002 -2213.3002 -3387.6269 3387.6269 2660 1.3084908e-06 -2213.3008 -2213.3008 -3387.6365 3387.6365 2670 4.6032699e-06 -2213.3028 -2213.3028 -3387.637 3387.637 2680 1.5866951e-05 -2213.3095 -2213.3095 -3387.1443 3387.1443 2690 3.2229477e-05 -2213.3216 -2213.3216 -3385.2567 3385.2567 2700 2.428763e-05 -2213.3322 -2213.3322 -3383.4871 3383.4871 2710 9.3349402e-07 -2213.3354 -2213.3354 -3383.5837 3383.5837 2720 4.6874582e-07 -2213.3366 -2213.3366 -3383.1263 3383.1263 2730 7.8330935e-08 -2213.3367 -2213.3367 -3383.2967 3383.2967 2740 6.6027574e-07 -2213.3371 -2213.3371 -3383.1516 3383.1516 2750 9.842225e-10 -2213.3374 -2213.3374 -3383.2976 3383.2976 2754 7.2959846e-09 -2213.3374 -2213.3374 -3383.3534 3383.3534 Loop time of 0.151464 on 1 procs for 154 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2999915 -2213.33736809 -2213.3373689 Force two-norm initial, final = 0.53269 0.00745074 Force max component initial, final = 0.0661065 0.000838494 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 154 154 Pair time (%) = 0.137602 (90.8482) Neigh time (%) = 0 (0) Comm time (%) = 0.00122356 (0.807825) Outpt time (%) = 0.0010128 (0.668675) Other time (%) = 0.0116253 (7.67528) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2754 0 -2213.3374 -2213.3374 -3383.3534 3383.3534 2755 3.8879869e-16 -2213.3374 -2213.3374 -3383.3534 3383.3534 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 = -2213.3373689 -2213.3373689 -2213.3373689 Force two-norm initial, final = 0.00745074 0.00745074 Force max component initial, final = 0.000838494 0.000838494 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (90.2205) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.785129) Outpt time (%) = 0 (0) Other time (%) = 0.000185728 (8.99434) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2600 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2610 2390.5484 -2027.8819 -2027.8819 15274.824 -15274.824 2620 2402.5913 -2029.3501 -2029.3501 14823.775 -14823.775 2630 2399.5313 -2029.7853 -2029.7853 13673.663 -13673.663 2640 2359.9121 -2027.7585 -2027.7585 13303.975 -13303.975 2650 2352.5671 -2027.7624 -2027.7624 14093.988 -14093.988 Loop time of 0.123086 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2650 2352.5671 -2027.7624 -2027.7624 14093.988 -14093.988 2671 2352.5671 -2213.2666 -2213.2666 12765.573 -12765.573 Loop time of 0.0459139 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.76240735 -2213.25376541 -2213.26663661 Force two-norm initial, final = 69.0807 0.382703 Force max component initial, final = 7.11891 0.0337521 Final line search alpha, max atom move = 0.0577793 0.00195017 Iterations, force evaluations = 21 39 Pair time (%) = 0.164838 (359.015) Neigh time (%) = 0.00331068 (7.21062) Comm time (%) = 0.00084877 (1.84861) Outpt time (%) = 0.00033021 (0.719193) Other time (%) = -0.123414 (-268.794) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.3 -2213.3 -3387.6237 3387.6237 2660 2.450862e-10 -2213.3 -2213.3 -3387.6237 3387.6237 2670 2.6871922e-09 -2213.3 -2213.3 -3387.6238 3387.6238 2680 1.3120067e-08 -2213.3 -2213.3 -3387.6239 3387.6239 2690 7.0496923e-08 -2213.3 -2213.3 -3387.6246 3387.6246 2700 2.7679926e-07 -2213.3002 -2213.3002 -3387.6269 3387.6269 2710 1.3057438e-06 -2213.3008 -2213.3008 -3387.6365 3387.6365 2720 4.5475339e-06 -2213.3028 -2213.3028 -3387.6371 3387.6371 2730 1.4607166e-05 -2213.3093 -2213.3093 -3387.1653 3387.1653 2740 2.7921911e-05 -2213.3206 -2213.3206 -3385.382 3385.382 2750 2.6972794e-05 -2213.3324 -2213.3324 -3383.483 3383.483 2760 8.336847e-07 -2213.3363 -2213.3363 -3383.213 3383.213 2770 2.5577174e-07 -2213.3367 -2213.3367 -3383.1938 3383.1938 2780 8.5649536e-07 -2213.3372 -2213.3372 -3383.1789 3383.1789 2790 1.4850095e-08 -2213.3374 -2213.3374 -3383.3921 3383.3921 2800 3.9212672e-09 -2213.3374 -2213.3374 -3383.3707 3383.3707 2810 1.54076e-08 -2213.3374 -2213.3374 -3383.3708 3383.3708 2813 1.2746338e-08 -2213.3374 -2213.3374 -3383.3895 3383.3895 Loop time of 0.158753 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2999915 -2213.33738491 -2213.33738525 Force two-norm initial, final = 0.53269 0.00356462 Force max component initial, final = 0.0661065 0.000444652 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.145135 (91.4222) Neigh time (%) = 0 (0) Comm time (%) = 0.00130677 (0.823148) Outpt time (%) = 0.0010829 (0.682127) Other time (%) = 0.0112278 (7.07253) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2813 0 -2213.3374 -2213.3374 -3383.3895 3383.3895 2814 8.8992284e-17 -2213.3374 -2213.3374 -3383.3895 3383.3895 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 = -2213.33738525 -2213.33738525 -2213.33738525 Force two-norm initial, final = 0.00356462 0.00356462 Force max component initial, final = 0.000444652 0.000444652 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (90.3039) Neigh time (%) = 0 (0) Comm time (%) = 1.54972e-05 (0.751185) Outpt time (%) = 0 (0) Other time (%) = 0.000184536 (8.94487) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2650 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2660 2394.1745 -2027.8414 -2027.8414 15306.873 -15306.873 2670 2408.0038 -2029.1555 -2029.1555 14888.874 -14888.874 2680 2406.6817 -2029.443 -2029.443 13756.99 -13756.99 2690 2368.7608 -2027.2814 -2027.2814 13393.141 -13393.141 2700 2361.9297 -2027.0919 -2027.0919 14191.093 -14191.093 Loop time of 0.122911 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2700 2361.9297 -2027.0919 -2027.0919 14191.093 -14191.093 2722 2361.9297 -2213.3094 -2213.3094 12834.701 -12834.701 Loop time of 0.0502508 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2027.09190445 -2213.29540428 -2213.30940628 Force two-norm initial, final = 69.2002 0.328711 Force max component initial, final = 7.13475 0.0555882 Final line search alpha, max atom move = 0.0525833 0.00292301 Iterations, force evaluations = 22 44 Pair time (%) = 0.168921 (336.157) Neigh time (%) = 0.0033226 (6.61204) Comm time (%) = 0.000902176 (1.79535) Outpt time (%) = 0.000335932 (0.668511) Other time (%) = -0.123231 (-245.233) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.3 -2213.3 -3387.6237 3387.6237 2710 2.4508618e-10 -2213.3 -2213.3 -3387.6237 3387.6237 2720 2.6871884e-09 -2213.3 -2213.3 -3387.6238 3387.6238 2730 1.3119933e-08 -2213.3 -2213.3 -3387.6239 3387.6239 2740 7.0493634e-08 -2213.3 -2213.3 -3387.6246 3387.6246 2750 2.7673431e-07 -2213.3002 -2213.3002 -3387.6269 3387.6269 2760 1.3045944e-06 -2213.3008 -2213.3008 -3387.6365 3387.6365 2770 4.5331206e-06 -2213.3028 -2213.3028 -3387.6371 3387.6371 2780 1.4732586e-05 -2213.3093 -2213.3093 -3387.1651 3387.1651 2790 3.0020108e-05 -2213.3209 -2213.3209 -3385.3487 3385.3487 2800 2.7928761e-05 -2213.3324 -2213.3324 -3383.3436 3383.3436 2810 1.1127274e-06 -2213.3356 -2213.3356 -3382.5663 3382.5663 2820 4.2577838e-07 -2213.3367 -2213.3367 -3383.2529 3383.2529 2830 9.224527e-07 -2213.3371 -2213.3371 -3383.1158 3383.1158 2840 3.4413771e-08 -2213.3373 -2213.3373 -3383.4382 3383.4382 2850 5.8546564e-08 -2213.3373 -2213.3373 -3383.5544 3383.5544 2858 2.4707715e-08 -2213.3374 -2213.3374 -3383.3931 3383.3931 Loop time of 0.154409 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2999915 -2213.33736319 -2213.33736669 Force two-norm initial, final = 0.53269 0.00962101 Force max component initial, final = 0.0661065 0.00101179 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.140628 (91.0753) Neigh time (%) = 0 (0) Comm time (%) = 0.00126624 (0.820057) Outpt time (%) = 0.00102878 (0.666267) Other time (%) = 0.0114856 (7.43841) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2858 0 -2213.3374 -2213.3374 -3383.3931 3383.3931 2859 6.4828751e-16 -2213.3374 -2213.3374 -3383.3931 3383.3931 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 = -2213.33736669 -2213.33736669 -2213.33736669 Force two-norm initial, final = 0.00962101 0.00962101 Force max component initial, final = 0.00101179 0.00101179 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186205 (89.7804) Neigh time (%) = 0 (0) Comm time (%) = 1.78814e-05 (0.862168) Outpt time (%) = 0 (0) Other time (%) = 0.000194073 (9.3574) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2600 2203.5753 -2028.7603 -2028.7603 12536.748 -12536.748 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2600 2203.5753 -2028.7603 -2028.7603 12536.748 -12536.748 2610 2269.8271 -2033.226 -2033.226 11579.971 -11579.971 2620 2298.4481 -2035.0279 -2035.0279 13159.899 -13159.899 2630 2304.2756 -2035.2279 -2035.2279 14820.266 -14820.266 2640 2290.7793 -2034.0549 -2034.0549 15928.458 -15928.458 2650 2336.1648 -2036.7014 -2036.7014 15556.136 -15556.136 Loop time of 0.122087 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2650 2336.1648 -2036.7014 -2036.7014 15556.136 -15556.136 2672 2336.1648 -2213.2839 -2213.2839 12657.598 -12657.598 Loop time of 0.0582159 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2036.7013549 -2213.27613086 -2213.28389711 Force two-norm initial, final = 68.2911 0.392783 Force max component initial, final = 5.37245 0.0302606 Final line search alpha, max atom move = 0.0625 0.00189129 Iterations, force evaluations = 22 52 Pair time (%) = 0.176676 (303.484) Neigh time (%) = 0.00264287 (4.53978) Comm time (%) = 0.000919104 (1.57879) Outpt time (%) = 0.00032711 (0.561892) Other time (%) = -0.122349 (-210.164) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.3129 -2213.3129 -3385.0412 3385.0412 2660 2.6921442e-10 -2213.3129 -2213.3129 -3385.0413 3385.0413 2670 2.9517355e-09 -2213.3129 -2213.3129 -3385.0415 3385.0415 2680 1.4411644e-08 -2213.3129 -2213.3129 -3385.0423 3385.0423 2690 7.7434145e-08 -2213.3129 -2213.3129 -3385.0469 3385.0469 2700 3.0402686e-07 -2213.3131 -2213.3131 -3385.0636 3385.0636 2710 1.4331988e-06 -2213.3137 -2213.3137 -3385.1447 3385.1447 2720 4.9830722e-06 -2213.3159 -2213.3159 -3385.3787 3385.3787 2730 1.4974375e-05 -2213.3223 -2213.3223 -3385.6387 3385.6387 2740 1.2120767e-05 -2213.3271 -2213.3271 -3383.5431 3383.5431 2750 1.4344392e-05 -2213.3334 -2213.3334 -3383.9224 3383.9224 2760 1.3277471e-06 -2213.3368 -2213.3368 -3382.8777 3382.8777 2770 1.8421312e-07 -2213.3372 -2213.3372 -3383.3134 3383.3134 2780 1.7020549e-07 -2213.3373 -2213.3373 -3383.3851 3383.3851 2790 5.6792213e-08 -2213.3374 -2213.3374 -3383.3588 3383.3588 2800 5.1410246e-09 -2213.3374 -2213.3374 -3383.3712 3383.3712 2810 1.0900238e-08 -2213.3374 -2213.3374 -3383.3981 3383.3981 2820 3.2849064e-09 -2213.3374 -2213.3374 -3383.3961 3383.3961 2823 1.1154206e-08 -2213.3374 -2213.3374 -3383.3924 3383.3924 Loop time of 0.16767 on 1 procs for 173 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31286621 -2213.33738695 -2213.33738715 Force two-norm initial, final = 0.558296 0.00377477 Force max component initial, final = 0.0508422 0.000272973 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 173 173 Pair time (%) = 0.153956 (91.8209) Neigh time (%) = 0 (0) Comm time (%) = 0.00138617 (0.826722) Outpt time (%) = 0.00113869 (0.679124) Other time (%) = 0.011189 (6.67322) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2823 0 -2213.3374 -2213.3374 -3383.3924 3383.3924 2824 9.9794613e-17 -2213.3374 -2213.3374 -3383.3924 3383.3924 Loop time of 0.00207281 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738715 -2213.33738715 -2213.33738715 Force two-norm initial, final = 0.00377477 0.00377477 Force max component initial, final = 0.000272973 0.000272973 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186205 (89.8321) Neigh time (%) = 0 (0) Comm time (%) = 1.78814e-05 (0.862664) Outpt time (%) = 0 (0) Other time (%) = 0.000192881 (9.30527) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2650 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2660 2404.2963 -2027.7248 -2027.7248 15396.977 -15396.977 2670 2421.9862 -2028.6168 -2028.6168 15061.924 -15061.924 2680 2424.0663 -2028.5507 -2028.5507 13962.665 -13962.665 2690 2389.1857 -2026.1079 -2026.1079 13593.949 -13593.949 2700 2381.8872 -2025.4959 -2025.4959 14393.28 -14393.28 Loop time of 0.122971 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2700 2381.8872 -2025.4959 -2025.4959 14393.28 -14393.28 2720 2381.8872 -2213.2586 -2213.2586 12967.528 -12967.528 Loop time of 0.0405929 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.49593582 -2213.24167135 -2213.25858867 Force two-norm initial, final = 69.4664 1.0491 Force max component initial, final = 7.17047 0.121913 Final line search alpha, max atom move = 0.0288044 0.00351164 Iterations, force evaluations = 20 33 Pair time (%) = 0.159514 (392.961) Neigh time (%) = 0.00332665 (8.19516) Comm time (%) = 0.000818491 (2.01634) Outpt time (%) = 0.000326872 (0.805244) Other time (%) = -0.123394 (-303.978) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.3129 -2213.3129 -3385.0412 3385.0412 2710 2.6921466e-10 -2213.3129 -2213.3129 -3385.0413 3385.0413 2720 2.9517724e-09 -2213.3129 -2213.3129 -3385.0415 3385.0415 2730 1.4412964e-08 -2213.3129 -2213.3129 -3385.0423 3385.0423 2740 7.746684e-08 -2213.3129 -2213.3129 -3385.0469 3385.0469 2750 3.04684e-07 -2213.3131 -2213.3131 -3385.0636 3385.0636 2760 1.4458291e-06 -2213.3137 -2213.3137 -3385.145 3385.145 2770 5.2186649e-06 -2213.3159 -2213.3159 -3385.382 3385.382 2780 1.7718047e-05 -2213.3227 -2213.3227 -3385.6051 3385.6051 2790 1.1396373e-05 -2213.3271 -2213.3271 -3383.4914 3383.4914 2800 1.1571364e-05 -2213.3329 -2213.3329 -3384.425 3384.425 2810 1.9864453e-08 -2213.3351 -2213.3351 -3383.9717 3383.9717 2820 7.38596e-07 -2213.3355 -2213.3355 -3383.4911 3383.4911 2830 1.6254021e-06 -2213.3364 -2213.3364 -3383.5931 3383.5931 2840 1.620397e-07 -2213.337 -2213.337 -3383.4223 3383.4223 2850 8.5883397e-08 -2213.3371 -2213.3371 -3383.4298 3383.4298 2860 2.7140827e-07 -2213.3373 -2213.3373 -3383.3514 3383.3514 2870 3.5875956e-08 -2213.3373 -2213.3373 -3383.3832 3383.3832 2880 4.605725e-08 -2213.3374 -2213.3374 -3383.3687 3383.3687 2890 5.7882583e-09 -2213.3374 -2213.3374 -3383.3862 3383.3862 2895 1.5135126e-08 -2213.3374 -2213.3374 -3383.3943 3383.3943 Loop time of 0.18947 on 1 procs for 195 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31286621 -2213.33736694 -2213.33736856 Force two-norm initial, final = 0.558296 0.00510011 Force max component initial, final = 0.0508422 0.000401491 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 195 195 Pair time (%) = 0.173151 (91.387) Neigh time (%) = 0 (0) Comm time (%) = 0.00154996 (0.81805) Outpt time (%) = 0.00126624 (0.668307) Other time (%) = 0.0135028 (7.12663) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2895 0 -2213.3374 -2213.3374 -3383.3943 3383.3943 2896 1.8217388e-16 -2213.3374 -2213.3374 -3383.3943 3383.3943 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 = -2213.33736856 -2213.33736856 -2213.33736856 Force two-norm initial, final = 0.00510011 0.00510011 Force max component initial, final = 0.000401491 0.000401491 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (90.3457) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.786218) Outpt time (%) = 0 (0) Other time (%) = 0.000182867 (8.86808) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2700 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2710 2401.3262 -2027.7597 -2027.7597 15370.423 -15370.423 2720 2418.086 -2028.774 -2028.774 15012.71 -15012.71 2730 2419.4182 -2028.8011 -2028.8011 13907.084 -13907.084 2740 2383.9067 -2026.4245 -2026.4245 13543.189 -13543.189 2750 2377.0068 -2025.918 -2025.918 14344.974 -14344.974 Loop time of 0.123255 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2750 2377.0068 -2025.918 -2025.918 14344.974 -14344.974 2770 2377.0068 -2213.2899 -2213.2899 12933.955 -12933.955 Loop time of 0.0421522 on 1 procs for 20 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.91801906 -2213.27110679 -2213.28989121 Force two-norm initial, final = 69.3992 0.423421 Force max component initial, final = 7.16136 0.0519817 Final line search alpha, max atom move = 0.0625 0.00324886 Iterations, force evaluations = 20 34 Pair time (%) = 0.161269 (382.587) Neigh time (%) = 0.00336576 (7.98477) Comm time (%) = 0.000820398 (1.94628) Outpt time (%) = 0.00034833 (0.826362) Other time (%) = -0.123651 (-293.344) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.3129 -2213.3129 -3385.0412 3385.0412 2760 2.6921436e-10 -2213.3129 -2213.3129 -3385.0413 3385.0413 2770 2.951725e-09 -2213.3129 -2213.3129 -3385.0415 3385.0415 2780 1.441127e-08 -2213.3129 -2213.3129 -3385.0423 3385.0423 2790 7.7424878e-08 -2213.3129 -2213.3129 -3385.0469 3385.0469 2800 3.0384178e-07 -2213.3131 -2213.3131 -3385.0636 3385.0636 2810 1.4297431e-06 -2213.3137 -2213.3137 -3385.1446 3385.1446 2820 4.9262061e-06 -2213.3159 -2213.3159 -3385.3778 3385.3778 2830 1.4514861e-05 -2213.3223 -2213.3223 -3385.6442 3385.6442 2840 1.2479502e-05 -2213.3271 -2213.3271 -3383.5626 3383.5626 2850 1.6539858e-05 -2213.3338 -2213.3338 -3383.6101 3383.6101 2860 2.7284508e-06 -2213.3364 -2213.3364 -3382.899 3382.899 2870 5.75769e-07 -2213.3367 -2213.3367 -3383.9535 3383.9535 2880 3.3516094e-07 -2213.3369 -2213.3369 -3383.1531 3383.1531 2890 5.9145927e-07 -2213.3373 -2213.3373 -3383.5872 3383.5872 2900 5.4618985e-08 -2213.3373 -2213.3373 -3383.4004 3383.4004 2910 1.4590088e-07 -2213.3373 -2213.3373 -3383.4377 3383.4377 2916 4.3244003e-08 -2213.3374 -2213.3374 -3383.4287 3383.4287 Loop time of 0.165021 on 1 procs for 166 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31286621 -2213.3373528 -2213.33735471 Force two-norm initial, final = 0.558296 0.00948006 Force max component initial, final = 0.0508422 0.000757981 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.148152 (89.7776) Neigh time (%) = 0 (0) Comm time (%) = 0.00133395 (0.808353) Outpt time (%) = 0.0011034 (0.668643) Other time (%) = 0.0144317 (8.74538) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2916 0 -2213.3374 -2213.3374 -3383.4287 3383.4287 2917 6.2943201e-16 -2213.3374 -2213.3374 -3383.4287 3383.4287 Loop time of 0.00213599 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735471 -2213.33735471 -2213.33735471 Force two-norm initial, final = 0.00948006 0.00948006 Force max component initial, final = 0.000757981 0.000757981 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187492 (87.7777) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.792499) Outpt time (%) = 0 (0) Other time (%) = 0.000244141 (11.4298) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2650 2336.1648 -2036.7014 -2036.7014 15556.136 -15556.136 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2650 2336.1648 -2036.7014 -2036.7014 15556.136 -15556.136 2660 2339.5553 -2036.8276 -2036.8276 14828.088 -14828.088 2670 2339.2286 -2036.6364 -2036.6364 16046.794 -16046.794 2680 2401.026 -2040.4986 -2040.4986 16316.14 -16316.14 2690 2335.5768 -2035.94 -2035.94 14970.418 -14970.418 2700 2322.0759 -2034.7575 -2034.7575 14574.217 -14574.217 Loop time of 0.122636 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2700 2322.0759 -2034.7575 -2034.7575 14574.217 -14574.217 2723 2322.0759 -2213.3146 -2213.3146 12574.211 -12574.211 Loop time of 0.056669 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2034.75746 -2213.29750249 -2213.31461814 Force two-norm initial, final = 70.7891 0.542903 Force max component initial, final = 7.1913 0.0689803 Final line search alpha, max atom move = 0.119148 0.00821886 Iterations, force evaluations = 23 51 Pair time (%) = 0.174868 (308.578) Neigh time (%) = 0.00336933 (5.94563) Comm time (%) = 0.000953674 (1.68289) Outpt time (%) = 0.000339985 (0.599949) Other time (%) = -0.122862 (-216.806) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.2839 -2213.2839 -3387.3383 3387.3383 2710 1.3325249e-10 -2213.2839 -2213.2839 -3387.3383 3387.3383 2720 1.4610149e-09 -2213.2839 -2213.2839 -3387.3385 3387.3385 2730 7.1334043e-09 -2213.2839 -2213.2839 -3387.3391 3387.3391 2740 3.8329192e-08 -2213.2839 -2213.2839 -3387.3423 3387.3423 2750 1.505464e-07 -2213.284 -2213.284 -3387.3539 3387.3539 2760 7.1060314e-07 -2213.2843 -2213.2843 -3387.4107 3387.4107 2770 2.5172723e-06 -2213.2854 -2213.2854 -3387.5809 3387.5809 2780 9.5984977e-06 -2213.2892 -2213.2892 -3387.9362 3387.9362 2790 2.3220565e-05 -2213.2991 -2213.2991 -3387.1995 3387.1995 2800 5.1115166e-05 -2213.3248 -2213.3248 -3384.5825 3384.5825 2810 2.0416916e-06 -2213.336 -2213.336 -3382.9771 3382.9771 2820 8.8717811e-08 -2213.3372 -2213.3372 -3383.504 3383.504 2830 2.3518941e-07 -2213.3373 -2213.3373 -3383.4841 3383.4841 2840 5.9144891e-09 -2213.3374 -2213.3374 -3383.3942 3383.3942 2850 2.3909874e-08 -2213.3374 -2213.3374 -3383.3758 3383.3758 2860 9.6116391e-11 -2213.3374 -2213.3374 -3383.3908 3383.3908 2863 3.6817242e-10 -2213.3374 -2213.3374 -3383.39 3383.39 Loop time of 0.161435 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28389711 -2213.33738159 -2213.33738165 Force two-norm initial, final = 0.392783 0.00379852 Force max component initial, final = 0.0302606 0.000370976 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.145753 (90.2857) Neigh time (%) = 0 (0) Comm time (%) = 0.00129962 (0.805043) Outpt time (%) = 0.0010891 (0.674635) Other time (%) = 0.0132935 (8.23459) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2863 0 -2213.3374 -2213.3374 -3383.39 3383.39 2870 5.094146e-15 -2213.3374 -2213.3374 -3383.39 3383.39 2880 7.0346348e-14 -2213.3374 -2213.3374 -3383.39 3383.39 2890 4.2080634e-13 -2213.3374 -2213.3374 -3383.39 3383.39 2900 2.1265908e-12 -2213.3374 -2213.3374 -3383.39 3383.39 2910 9.3535551e-12 -2213.3374 -2213.3374 -3383.39 3383.39 2920 4.1269873e-11 -2213.3374 -2213.3374 -3383.3899 3383.3899 2930 1.684536e-10 -2213.3374 -2213.3374 -3383.3897 3383.3897 2940 6.8047968e-10 -2213.3374 -2213.3374 -3383.3891 3383.3891 2950 2.3351542e-09 -2213.3374 -2213.3374 -3383.3911 3383.3911 2960 6.3766831e-09 -2213.3374 -2213.3374 -3383.3956 3383.3956 2970 1.9401432e-12 -2213.3374 -2213.3374 -3383.3935 3383.3935 2980 8.3292176e-11 -2213.3374 -2213.3374 -3383.3943 3383.3943 2990 3.2349981e-10 -2213.3374 -2213.3374 -3383.388 3383.388 3000 9.6352275e-12 -2213.3374 -2213.3374 -3383.3943 3383.3943 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 = -2213.33738165 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00379852 0.000221424 Force max component initial, final = 0.000370976 2.06733e-05 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 137 137 Pair time (%) = 0.122316 (89.0074) Neigh time (%) = 0 (0) Comm time (%) = 0.0011189 (0.814207) Outpt time (%) = 0.000885487 (0.644357) Other time (%) = 0.0131018 (9.53401) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2700 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2710 2404.2769 -2027.7274 -2027.7274 15396.403 -15396.403 2720 2422.6738 -2028.6146 -2028.6146 15067.16 -15067.16 2730 2425.6625 -2028.512 -2028.512 13979.376 -13979.376 2740 2391.8172 -2026.0104 -2026.0104 13623.812 -13623.812 2750 2385.6821 -2025.3264 -2025.3264 14436.22 -14436.22 Loop time of 0.123653 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2750 2385.6821 -2025.3264 -2025.3264 14436.22 -14436.22 2771 2385.6821 -2213.2503 -2213.2503 13001.344 -13001.344 Loop time of 0.0416269 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.32643425 -2213.2347597 -2213.2502563 Force two-norm initial, final = 69.5062 0.860363 Force max component initial, final = 7.1754 0.121147 Final line search alpha, max atom move = 0.0583035 0.00706328 Iterations, force evaluations = 21 34 Pair time (%) = 0.28158 (676.438) Neigh time (%) = 0.00335217 (8.05288) Comm time (%) = 0.00194216 (4.66563) Outpt time (%) = 0.00122166 (2.93478) Other time (%) = -0.246469 (-592.091) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.2839 -2213.2839 -3387.3383 3387.3383 2760 1.3325247e-10 -2213.2839 -2213.2839 -3387.3383 3387.3383 2770 1.4610107e-09 -2213.2839 -2213.2839 -3387.3385 3387.3385 2780 7.1332554e-09 -2213.2839 -2213.2839 -3387.3391 3387.3391 2790 3.83255e-08 -2213.2839 -2213.2839 -3387.3423 3387.3423 2800 1.5047212e-07 -2213.284 -2213.284 -3387.3539 3387.3539 2810 7.0916983e-07 -2213.2843 -2213.2843 -3387.4106 3387.4106 2820 2.4898104e-06 -2213.2854 -2213.2854 -3387.5803 3387.5803 2830 9.14309e-06 -2213.2892 -2213.2892 -3387.9355 3387.9355 2840 2.6162914e-05 -2213.2992 -2213.2992 -3387.1673 3387.1673 2850 5.3777532e-05 -2213.3258 -2213.3258 -3384.4431 3384.4431 2860 1.7157711e-06 -2213.3358 -2213.3358 -3383.7458 3383.7458 2870 3.0177625e-07 -2213.336 -2213.336 -3383.6473 3383.6473 2880 9.9842939e-07 -2213.3364 -2213.3364 -3383.5096 3383.5096 2890 1.2936586e-06 -2213.337 -2213.337 -3383.1198 3383.1198 2900 3.1466708e-08 -2213.3372 -2213.3372 -3383.3871 3383.3871 2910 1.5296678e-07 -2213.3373 -2213.3373 -3383.4196 3383.4196 2919 3.9936457e-08 -2213.3373 -2213.3373 -3383.3914 3383.3914 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 = -2213.28389711 -2213.33733707 -2213.33734104 Force two-norm initial, final = 0.392783 0.00993049 Force max component initial, final = 0.0302606 0.000684834 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.150836 (90.2981) Neigh time (%) = 0 (0) Comm time (%) = 0.0013504 (0.808421) Outpt time (%) = 0.00109696 (0.656699) Other time (%) = 0.0137589 (8.23679) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2919 0 -2213.3373 -2213.3373 -3383.3914 3383.3914 2920 6.9066472e-16 -2213.3373 -2213.3373 -3383.3914 3383.3914 Loop time of 0.00224519 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734104 -2213.33734104 -2213.33734104 Force two-norm initial, final = 0.00993049 0.00993049 Force max component initial, final = 0.000684834 0.000684834 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00199986 (89.073) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.711479) Outpt time (%) = 0 (0) Other time (%) = 0.000229359 (10.2156) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2750 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2760 2403.6127 -2027.7353 -2027.7353 15390.441 -15390.441 2770 2421.8529 -2028.6495 -2028.6495 15056.552 -15056.552 2780 2424.7642 -2028.565 -2028.565 13968.356 -13968.356 2790 2390.9149 -2026.0725 -2026.0725 13615.455 -13615.455 2800 2385.0748 -2025.403 -2025.403 14430.704 -14430.704 Loop time of 0.12296 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2800 2385.0748 -2025.403 -2025.403 14430.704 -14430.704 2821 2385.0748 -2213.3077 -2213.3077 12994.16 -12994.16 Loop time of 0.04496 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.40295163 -2213.29596865 -2213.30766026 Force two-norm initial, final = 69.4958 0.329967 Force max component initial, final = 7.17393 0.0636933 Final line search alpha, max atom move = 0.0625 0.00398083 Iterations, force evaluations = 21 38 Pair time (%) = 0.163924 (364.6) Neigh time (%) = 0.00333285 (7.41293) Comm time (%) = 0.000851631 (1.8942) Outpt time (%) = 0.000328064 (0.729679) Other time (%) = -0.123477 (-274.637) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.2839 -2213.2839 -3387.3383 3387.3383 2810 1.332524e-10 -2213.2839 -2213.2839 -3387.3383 3387.3383 2820 1.4609999e-09 -2213.2839 -2213.2839 -3387.3385 3387.3385 2830 7.1328684e-09 -2213.2839 -2213.2839 -3387.3391 3387.3391 2840 3.831591e-08 -2213.2839 -2213.2839 -3387.3423 3387.3423 2850 1.5027924e-07 -2213.284 -2213.284 -3387.3539 3387.3539 2860 7.0545152e-07 -2213.2843 -2213.2843 -3387.4105 3387.4105 2870 2.4196979e-06 -2213.2854 -2213.2854 -3387.5788 3387.5788 2880 7.9975033e-06 -2213.289 -2213.289 -3387.9334 3387.9334 2890 2.3330385e-05 -2213.2985 -2213.2985 -3387.2458 3387.2458 2900 6.4377992e-05 -2213.3258 -2213.3258 -3384.3228 3384.3228 2910 4.2246825e-07 -2213.337 -2213.337 -3383.5926 3383.5926 2920 1.0751509e-07 -2213.3371 -2213.3371 -3383.4582 3383.4582 2930 2.6374397e-08 -2213.3372 -2213.3372 -3383.4523 3383.4523 2940 9.3818965e-08 -2213.3373 -2213.3373 -3383.4629 3383.4629 2950 2.1849652e-07 -2213.3374 -2213.3374 -3383.3932 3383.3932 2955 4.0431654e-08 -2213.3374 -2213.3374 -3383.3807 3383.3807 Loop time of 0.151089 on 1 procs for 155 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28389711 -2213.33735795 -2213.3373631 Force two-norm initial, final = 0.392783 0.0091221 Force max component initial, final = 0.0302606 0.000658412 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 155 155 Pair time (%) = 0.138086 (91.3941) Neigh time (%) = 0 (0) Comm time (%) = 0.00123358 (0.816458) Outpt time (%) = 0.00101614 (0.672544) Other time (%) = 0.0107529 (7.11694) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2955 0 -2213.3374 -2213.3374 -3383.3807 3383.3807 2956 5.8279501e-16 -2213.3374 -2213.3374 -3383.3807 3383.3807 Loop time of 0.00209808 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373631 -2213.3373631 -2213.3373631 Force two-norm initial, final = 0.0091221 0.0091221 Force max component initial, final = 0.000658412 0.000658412 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00188494 (89.8409) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.863636) Outpt time (%) = 0 (0) Other time (%) = 0.000195026 (9.29545) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2700 2322.0759 -2034.7575 -2034.7575 14574.217 -14574.217 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2700 2322.0759 -2034.7575 -2034.7575 14574.217 -14574.217 2710 2386.8706 -2038.6868 -2038.6868 14802.35 -14802.35 2720 2374.7833 -2037.4682 -2037.4682 15908.054 -15908.054 2730 2327.7048 -2033.8709 -2033.8709 15242.356 -15242.356 2740 2354.8985 -2035.0375 -2035.0375 15163.14 -15163.14 2750 2377.6082 -2035.7543 -2035.7543 15316.662 -15316.662 Loop time of 0.122336 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2750 2377.6082 -2035.7543 -2035.7543 15316.662 -15316.662 2773 2377.6082 -2213.3254 -2213.3254 12944.957 -12944.957 Loop time of 0.0606978 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2035.7543065 -2213.31207618 -2213.32544812 Force two-norm initial, final = 67.5201 0.452633 Force max component initial, final = 6.17344 0.0407944 Final line search alpha, max atom move = 0.0506972 0.00206816 Iterations, force evaluations = 23 55 Pair time (%) = 0.178674 (294.366) Neigh time (%) = 0.00332808 (5.48304) Comm time (%) = 0.00097084 (1.59947) Outpt time (%) = 0.000326157 (0.537345) Other time (%) = -0.122601 (-201.986) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.3146 -2213.3146 -3373.9619 3373.9619 2760 2.5457345e-10 -2213.3146 -2213.3146 -3373.9621 3373.9621 2770 2.7911283e-09 -2213.3146 -2213.3146 -3373.9642 3373.9642 2780 1.3625562e-08 -2213.3146 -2213.3146 -3373.9734 3373.9734 2790 7.3157384e-08 -2213.3147 -2213.3147 -3374.0237 3374.0237 2800 2.8639641e-07 -2213.3148 -2213.3148 -3374.2065 3374.2065 2810 1.3316659e-06 -2213.3154 -2213.3154 -3375.118 3375.118 2820 4.3851095e-06 -2213.3173 -2213.3173 -3378.0715 3378.0715 2830 1.0199255e-05 -2213.3215 -2213.3215 -3387.3857 3387.3857 2840 1.1493325e-05 -2213.3255 -2213.3255 -3382.4428 3382.4428 2850 1.5190911e-05 -2213.3327 -2213.3327 -3385.5174 3385.5174 2860 2.3293964e-06 -2213.3365 -2213.3365 -3383.775 3383.775 2870 4.0993163e-07 -2213.3366 -2213.3366 -3383.2094 3383.2094 2880 4.8325669e-07 -2213.3368 -2213.3368 -3383.6395 3383.6395 2890 1.4315099e-06 -2213.337 -2213.337 -3383.6006 3383.6006 2900 2.3698438e-08 -2213.3373 -2213.3373 -3383.4202 3383.4202 2910 7.3393388e-08 -2213.3373 -2213.3373 -3383.3835 3383.3835 2919 2.7616004e-08 -2213.3373 -2213.3373 -3383.426 3383.426 Loop time of 0.163811 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31461814 -2213.33734636 -2213.33734921 Force two-norm initial, final = 0.542903 0.00892091 Force max component initial, final = 0.0689803 0.000613194 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.150197 (91.6892) Neigh time (%) = 0 (0) Comm time (%) = 0.00135303 (0.825968) Outpt time (%) = 0.00106597 (0.650731) Other time (%) = 0.0111949 (6.83406) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2919 0 -2213.3373 -2213.3373 -3383.426 3383.426 2920 5.5737159e-16 -2213.3373 -2213.3373 -3383.426 3383.426 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 = -2213.33734921 -2213.33734921 -2213.33734921 Force two-norm initial, final = 0.00892091 0.00892091 Force max component initial, final = 0.000613194 0.000613194 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00199795 (90.9387) Neigh time (%) = 0 (0) Comm time (%) = 1.35899e-05 (0.618557) Outpt time (%) = 0 (0) Other time (%) = 0.00018549 (8.44276) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2750 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2760 2411.585 -2027.6509 -2027.6509 15460.121 -15460.121 2770 2435.3866 -2028.213 -2028.213 15212.593 -15212.593 2780 2444.6855 -2027.7167 -2027.7167 14194.412 -14194.412 2790 2418.0535 -2024.7659 -2024.7659 13896.208 -13896.208 2800 2417.641 -2023.4358 -2023.4358 14780.421 -14780.421 Loop time of 0.123038 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2800 2417.641 -2023.4358 -2023.4358 14780.421 -14780.421 2822 2417.641 -2213.2914 -2213.2914 13221.452 -13221.452 Loop time of 0.0488021 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2023.4358097 -2213.27603028 -2213.29141735 Force two-norm initial, final = 69.8743 0.499633 Force max component initial, final = 7.22279 0.0972565 Final line search alpha, max atom move = 0.100787 0.00980222 Iterations, force evaluations = 22 42 Pair time (%) = 0.16776 (343.756) Neigh time (%) = 0.00332975 (6.82297) Comm time (%) = 0.000882864 (1.80907) Outpt time (%) = 0.000328064 (0.672233) Other time (%) = -0.123499 (-253.06) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.3146 -2213.3146 -3373.9619 3373.9619 2810 2.5457348e-10 -2213.3146 -2213.3146 -3373.9621 3373.9621 2820 2.7911335e-09 -2213.3146 -2213.3146 -3373.9642 3373.9642 2830 1.3625747e-08 -2213.3146 -2213.3146 -3373.9734 3373.9734 2840 7.3161947e-08 -2213.3147 -2213.3147 -3374.0237 3374.0237 2850 2.8648702e-07 -2213.3148 -2213.3148 -3374.2065 3374.2065 2860 1.3333101e-06 -2213.3154 -2213.3154 -3375.1185 3375.1185 2870 4.4085319e-06 -2213.3173 -2213.3173 -3378.0775 3378.0775 2880 9.9958485e-06 -2213.3215 -2213.3215 -3387.4081 3387.4081 2890 1.0578151e-05 -2213.3253 -2213.3253 -3383.0996 3383.0996 2900 1.7150531e-05 -2213.3327 -2213.3327 -3384.3648 3384.3648 2910 3.882286e-06 -2213.3366 -2213.3366 -3384.2764 3384.2764 2920 2.2947145e-07 -2213.3368 -2213.3368 -3383.2148 3383.2148 2930 3.7641502e-07 -2213.3369 -2213.3369 -3383.3434 3383.3434 2940 9.3206163e-07 -2213.3371 -2213.3371 -3381.3898 3381.3898 2950 1.4559407e-08 -2213.3373 -2213.3373 -3383.4448 3383.4448 2960 4.527208e-08 -2213.3373 -2213.3373 -3383.5475 3383.5475 2969 1.9522498e-08 -2213.3374 -2213.3374 -3383.3621 3383.3621 Loop time of 0.167519 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31461814 -2213.33736186 -2213.33736382 Force two-norm initial, final = 0.542903 0.00700288 Force max component initial, final = 0.0689803 0.000549165 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.150893 (90.0754) Neigh time (%) = 0 (0) Comm time (%) = 0.00137091 (0.818359) Outpt time (%) = 0.00108624 (0.648425) Other time (%) = 0.0141685 (8.45784) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2969 0 -2213.3374 -2213.3374 -3383.3621 3383.3621 2970 3.4346295e-16 -2213.3374 -2213.3374 -3383.3621 3383.3621 Loop time of 0.0022769 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736382 -2213.33736382 -2213.33736382 Force two-norm initial, final = 0.00700288 0.00700288 Force max component initial, final = 0.000549165 0.000549165 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00200486 (88.0524) Neigh time (%) = 0 (0) Comm time (%) = 1.45435e-05 (0.638743) Outpt time (%) = 0 (0) Other time (%) = 0.000257492 (11.3089) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2800 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2810 2418.4361 -2027.5757 -2027.5757 15520.461 -15520.461 2820 2445.7882 -2027.8434 -2027.8434 15337.233 -15337.233 2830 2458.0819 -2027.0621 -2027.0621 14352.396 -14352.396 2840 2433.642 -2023.8746 -2023.8746 14055.389 -14055.389 2850 2432.1165 -2022.2393 -2022.2393 14932.758 -14932.758 Loop time of 0.123729 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2850 2432.1165 -2022.2393 -2022.2393 14932.758 -14932.758 2873 2432.1165 -2213.3032 -2213.3032 13319.198 -13319.198 Loop time of 0.051538 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2022.23931859 -2213.29112615 -2213.30324955 Force two-norm initial, final = 70.0699 0.664468 Force max component initial, final = 7.24872 0.0842257 Final line search alpha, max atom move = 0.125 0.0105282 Iterations, force evaluations = 23 45 Pair time (%) = 0.171072 (331.934) Neigh time (%) = 0.00335693 (6.51351) Comm time (%) = 0.000909567 (1.76485) Outpt time (%) = 0.000344276 (0.668005) Other time (%) = -0.124145 (-240.88) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.3146 -2213.3146 -3373.9619 3373.9619 2860 2.545736e-10 -2213.3146 -2213.3146 -3373.9621 3373.9621 2870 2.791152e-09 -2213.3146 -2213.3146 -3373.9642 3373.9642 2880 1.3626408e-08 -2213.3146 -2213.3146 -3373.9734 3373.9734 2890 7.317831e-08 -2213.3147 -2213.3147 -3374.0237 3374.0237 2900 2.8681482e-07 -2213.3148 -2213.3148 -3374.2066 3374.2066 2910 1.3395135e-06 -2213.3154 -2213.3154 -3375.1201 3375.1201 2920 4.5176561e-06 -2213.3173 -2213.3173 -3378.1027 3378.1027 2930 1.0835165e-05 -2213.3215 -2213.3215 -3387.6062 3387.6062 2940 1.0311372e-05 -2213.3253 -2213.3253 -3383.3493 3383.3493 2950 1.5004115e-05 -2213.3322 -2213.3322 -3387.9447 3387.9447 2960 3.0676021e-06 -2213.3363 -2213.3363 -3383.1637 3383.1637 2970 4.2926996e-07 -2213.3365 -2213.3365 -3384.0169 3384.0169 2980 5.1308066e-07 -2213.3367 -2213.3367 -3383.5281 3383.5281 2990 9.7463133e-08 -2213.3371 -2213.3371 -3381.5168 3381.5168 3000 2.6485927e-08 -2213.3371 -2213.3371 -3383.8695 3383.8695 3010 1.4775327e-07 -2213.3372 -2213.3372 -3383.5655 3383.5655 3020 3.2139889e-07 -2213.3373 -2213.3373 -3383.9184 3383.9184 3030 2.3112862e-09 -2213.3373 -2213.3373 -3383.2926 3383.2926 3033 5.202429e-09 -2213.3373 -2213.3373 -3383.3826 3383.3826 Loop time of 0.183205 on 1 procs for 183 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31461814 -2213.33734821 -2213.33734869 Force two-norm initial, final = 0.542903 0.00692739 Force max component initial, final = 0.0689803 0.000418191 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 183 183 Pair time (%) = 0.164705 (89.9018) Neigh time (%) = 0 (0) Comm time (%) = 0.00144911 (0.790977) Outpt time (%) = 0.00121498 (0.663182) Other time (%) = 0.0158362 (8.644) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 3033 0 -2213.3373 -2213.3373 -3383.3826 3383.3826 3034 3.3609732e-16 -2213.3373 -2213.3373 -3383.3826 3383.3826 Loop time of 0.00223184 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734869 -2213.33734869 -2213.33734869 Force two-norm initial, final = 0.00692739 0.00692739 Force max component initial, final = 0.000418191 0.000418191 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001894 (84.8627) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.758466) Outpt time (%) = 0 (0) Other time (%) = 0.000320911 (14.3788) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2750 2377.6082 -2035.7543 -2035.7543 15316.662 -15316.662 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2750 2377.6082 -2035.7543 -2035.7543 15316.662 -15316.662 2760 2315.2544 -2030.1497 -2030.1497 15783.775 -15783.775 2770 2438.5087 -2036.7766 -2036.7766 14521.887 -14521.887 2780 2480.6969 -2038.1183 -2038.1183 14542.69 -14542.69 2790 2355.5762 -2028.6449 -2028.6449 15642.159 -15642.159 2800 2392.061 -2029.9932 -2029.9932 14021.343 -14021.343 Loop time of 0.125115 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2800 2392.061 -2029.9932 -2029.9932 14021.343 -14021.343 2822 2392.061 -2213.2992 -2213.2992 13029.878 -13029.878 Loop time of 0.0502989 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2029.99323178 -2213.28962533 -2213.29924988 Force two-norm initial, final = 70.1373 0.434148 Force max component initial, final = 6.66158 0.0470123 Final line search alpha, max atom move = 0.125 0.00587653 Iterations, force evaluations = 22 44 Pair time (%) = 0.171139 (340.243) Neigh time (%) = 0.00336337 (6.68676) Comm time (%) = 0.00090909 (1.80737) Outpt time (%) = 0.000334978 (0.665975) Other time (%) = -0.125447 (-249.403) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.3254 -2213.3254 -3384.6162 3384.6162 2810 1.7695435e-10 -2213.3254 -2213.3254 -3384.6162 3384.6162 2820 1.9401827e-09 -2213.3254 -2213.3254 -3384.6161 3384.6161 2830 9.4731071e-09 -2213.3255 -2213.3255 -3384.6161 3384.6161 2840 5.0906499e-08 -2213.3255 -2213.3255 -3384.6158 3384.6158 2850 2.0000703e-07 -2213.3256 -2213.3256 -3384.6148 3384.6148 2860 9.4537209e-07 -2213.326 -2213.326 -3384.6083 3384.6083 2870 3.3267042e-06 -2213.3275 -2213.3275 -3384.5726 3384.5726 2880 1.0156015e-05 -2213.3317 -2213.3317 -3384.2073 3384.2073 2890 5.3502298e-06 -2213.3337 -2213.3337 -3383.7503 3383.7503 2900 5.5985654e-06 -2213.3359 -2213.3359 -3383.2923 3383.2923 2910 7.4243403e-07 -2213.3363 -2213.3363 -3383.1475 3383.1475 2920 2.2709357e-07 -2213.3372 -2213.3372 -3383.3514 3383.3514 2930 2.8146747e-08 -2213.3372 -2213.3372 -3383.3564 3383.3564 2940 1.5106084e-07 -2213.3373 -2213.3373 -3383.3368 3383.3368 2950 1.632691e-07 -2213.3374 -2213.3374 -3383.4166 3383.4166 2960 9.7369143e-09 -2213.3374 -2213.3374 -3383.4041 3383.4041 2962 1.0831204e-08 -2213.3374 -2213.3374 -3383.3999 3383.3999 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 = -2213.32544812 -2213.33738164 -2213.33738246 Force two-norm initial, final = 0.452633 0.00650147 Force max component initial, final = 0.0407944 0.000693624 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 162 162 Pair time (%) = 0.145299 (90.8054) Neigh time (%) = 0 (0) Comm time (%) = 0.00131011 (0.818762) Outpt time (%) = 0.00110412 (0.690025) Other time (%) = 0.0122981 (7.68579) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2962 0 -2213.3374 -2213.3374 -3383.3999 3383.3999 2963 2.960389e-16 -2213.3374 -2213.3374 -3383.3999 3383.3999 Loop time of 0.00214911 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738246 -2213.33738246 -2213.33738246 Force two-norm initial, final = 0.00650147 0.00650147 Force max component initial, final = 0.000693624 0.000693624 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001899 (88.3625) Neigh time (%) = 0 (0) Comm time (%) = 1.78814e-05 (0.832039) Outpt time (%) = 0 (0) Other time (%) = 0.00023222 (10.8054) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2800 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2810 2412.4241 -2027.6317 -2027.6317 15469.234 -15469.234 2820 2433.3247 -2028.1834 -2028.1834 15201.856 -15201.856 2830 2438.1893 -2027.8283 -2027.8283 14129.885 -14129.885 2840 2405.7542 -2025.1562 -2025.1562 13757.575 -13757.575 2850 2398.0471 -2024.2031 -2024.2031 14557.945 -14557.945 Loop time of 0.124119 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2850 2398.0471 -2024.2031 -2024.2031 14557.945 -14557.945 2873 2398.0471 -2213.2975 -2213.2975 13081.945 -13081.945 Loop time of 0.0518172 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2024.20309658 -2213.28984737 -2213.29751659 Force two-norm initial, final = 69.6798 0.263914 Force max component initial, final = 7.19902 0.028895 Final line search alpha, max atom move = 0.0625 0.00180593 Iterations, force evaluations = 23 45 Pair time (%) = 0.171612 (331.188) Neigh time (%) = 0.00338387 (6.53041) Comm time (%) = 0.000901222 (1.73923) Outpt time (%) = 0.000331879 (0.64048) Other time (%) = -0.124412 (-240.098) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.3254 -2213.3254 -3384.6162 3384.6162 2860 1.7695425e-10 -2213.3254 -2213.3254 -3384.6162 3384.6162 2870 1.9401677e-09 -2213.3254 -2213.3254 -3384.6161 3384.6161 2880 9.4725696e-09 -2213.3255 -2213.3255 -3384.6161 3384.6161 2890 5.0893197e-08 -2213.3255 -2213.3255 -3384.6158 3384.6158 2900 1.9974114e-07 -2213.3256 -2213.3256 -3384.6148 3384.6148 2910 9.4038785e-07 -2213.326 -2213.326 -3384.6083 3384.6083 2920 3.2431228e-06 -2213.3274 -2213.3274 -3384.573 3384.573 2930 9.431934e-06 -2213.3316 -2213.3316 -3384.2222 3384.2222 2940 5.5836352e-06 -2213.3337 -2213.3337 -3383.7728 3383.7728 2950 6.1718859e-06 -2213.336 -2213.336 -3383.3399 3383.3399 2960 1.0296465e-06 -2213.3367 -2213.3367 -3383.2966 3383.2966 2970 2.5319758e-07 -2213.3372 -2213.3372 -3383.3338 3383.3338 2980 2.1646759e-07 -2213.3373 -2213.3373 -3383.2883 3383.2883 2990 7.3794339e-08 -2213.3373 -2213.3373 -3383.5257 3383.5257 2992 1.3580253e-07 -2213.3374 -2213.3374 -3383.3635 3383.3635 Loop time of 0.141093 on 1 procs for 142 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32544812 -2213.33736674 -2213.33737436 Force two-norm initial, final = 0.452633 0.00973185 Force max component initial, final = 0.0407944 0.000830656 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 142 142 Pair time (%) = 0.127438 (90.3222) Neigh time (%) = 0 (0) Comm time (%) = 0.00115967 (0.821917) Outpt time (%) = 0.000954866 (0.676764) Other time (%) = 0.0115402 (8.17913) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2992 0 -2213.3374 -2213.3374 -3383.3635 3383.3635 2993 6.6331014e-16 -2213.3374 -2213.3374 -3383.3635 3383.3635 Loop time of 0.00214911 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737436 -2213.33737436 -2213.33737436 Force two-norm initial, final = 0.00973185 0.00973185 Force max component initial, final = 0.000830656 0.000830656 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00189519 (88.185) Neigh time (%) = 0 (0) Comm time (%) = 1.43051e-05 (0.665631) Outpt time (%) = 0 (0) Other time (%) = 0.000239611 (11.1493) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2850 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2860 2404.729 -2027.7204 -2027.7204 15400.727 -15400.727 2870 2422.7803 -2028.5929 -2028.5929 15070.856 -15070.856 2880 2425.2674 -2028.5014 -2028.5014 13976.234 -13976.234 2890 2390.8054 -2026.0298 -2026.0298 13611.01 -13611.01 2900 2383.7979 -2025.3795 -2025.3795 14413.966 -14413.966 Loop time of 0.124087 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2900 2383.7979 -2025.3795 -2025.3795 14413.966 -14413.966 2921 2383.7979 -2213.2605 -2213.2605 12984.551 -12984.551 Loop time of 0.0418 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.37947819 -2213.24070034 -2213.26050682 Force two-norm initial, final = 69.489 0.5464 Force max component initial, final = 7.17338 0.109358 Final line search alpha, max atom move = 0.0985441 0.0107766 Iterations, force evaluations = 21 34 Pair time (%) = 0.161726 (386.904) Neigh time (%) = 0.00337696 (8.07885) Comm time (%) = 0.000819921 (1.96153) Outpt time (%) = 0.000344038 (0.823057) Other time (%) = -0.124467 (-297.767) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2900 0 -2213.3254 -2213.3254 -3384.6162 3384.6162 2910 1.7695422e-10 -2213.3254 -2213.3254 -3384.6162 3384.6162 2920 1.9401625e-09 -2213.3254 -2213.3254 -3384.6161 3384.6161 2930 9.4723829e-09 -2213.3255 -2213.3255 -3384.6161 3384.6161 2940 5.0888576e-08 -2213.3255 -2213.3255 -3384.6158 3384.6158 2950 1.9964868e-07 -2213.3256 -2213.3256 -3384.6148 3384.6148 2960 9.3864595e-07 -2213.326 -2213.326 -3384.6083 3384.6083 2970 3.2133117e-06 -2213.3274 -2213.3274 -3384.5732 3384.5732 2980 9.1043693e-06 -2213.3315 -2213.3315 -3384.2281 3384.2281 2990 5.9889463e-06 -2213.3337 -2213.3337 -3383.7978 3383.7978 3000 6.0909447e-06 -2213.3361 -2213.3361 -3383.3235 3383.3235 3010 1.1020675e-06 -2213.3367 -2213.3367 -3383.273 3383.273 3020 2.5607335e-07 -2213.3372 -2213.3372 -3383.3372 3383.3372 3030 2.5821495e-07 -2213.3373 -2213.3373 -3383.2699 3383.2699 3040 9.2431557e-08 -2213.3373 -2213.3373 -3383.5296 3383.5296 3050 1.9215306e-08 -2213.3374 -2213.3374 -3383.3309 3383.3309 3059 2.8044548e-08 -2213.3374 -2213.3374 -3383.4003 3383.4003 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 = -2213.32544812 -2213.33738048 -2213.33738371 Force two-norm initial, final = 0.452633 0.005022 Force max component initial, final = 0.0407944 0.000497738 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 159 159 Pair time (%) = 0.141671 (91.4426) Neigh time (%) = 0 (0) Comm time (%) = 0.00128794 (0.831307) Outpt time (%) = 0.00101185 (0.653104) Other time (%) = 0.0109582 (7.07304) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 3059 0 -2213.3374 -2213.3374 -3383.4003 3383.4003 3060 1.7663626e-16 -2213.3374 -2213.3374 -3383.4003 3383.4003 Loop time of 0.00219822 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738371 -2213.33738371 -2213.33738371 Force two-norm initial, final = 0.005022 0.005022 Force max component initial, final = 0.000497738 0.000497738 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00199699 (90.846) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.715835) Outpt time (%) = 0 (0) Other time (%) = 0.00018549 (8.43818) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2800 2392.061 -2029.9932 -2029.9932 14021.343 -14021.343 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2800 2392.061 -2029.9932 -2029.9932 14021.343 -14021.343 2810 2396.8536 -2030.1194 -2030.1194 14480.938 -14480.938 2820 2364.8764 -2027.8363 -2027.8363 15330.984 -15330.984 2830 2353.8582 -2026.9127 -2026.9127 16154.06 -16154.06 2840 2317.5702 -2024.2659 -2024.2659 15691.945 -15691.945 2850 2340.0646 -2025.4219 -2025.4219 15146.705 -15146.705 Loop time of 0.125738 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 4.96912 Mbytes Step Temp PotEng pe Press press 2850 2340.0646 -2025.4219 -2025.4219 15146.705 -15146.705 2872 2340.0646 -2213.2962 -2213.2962 12691.516 -12691.516 Loop time of 0.0496171 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.42191037 -2213.27439702 -2213.29616793 Force two-norm initial, final = 71.2777 0.809472 Force max component initial, final = 5.6272 0.101619 Final line search alpha, max atom move = 0.0921193 0.0093611 Iterations, force evaluations = 22 43 Pair time (%) = 0.170599 (343.832) Neigh time (%) = 0.0039885 (8.03858) Comm time (%) = 0.000895262 (1.80434) Outpt time (%) = 0.00033021 (0.665517) Other time (%) = -0.126196 (-254.341) 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 = 3 Dangerous builds = 0 Memory usage per processor = 4.77839 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.2992 -2213.2992 -3398.9572 3398.9572 2860 1.6279611e-10 -2213.2992 -2213.2992 -3398.9571 3398.9571 2870 1.7849173e-09 -2213.2993 -2213.2993 -3398.9555 3398.9555 2880 8.7143597e-09 -2213.2993 -2213.2993 -3398.9483 3398.9483 2890 4.6809826e-08 -2213.2993 -2213.2993 -3398.9094 3398.9094 2900 1.8363933e-07 -2213.2994 -2213.2994 -3398.7675 3398.7675 2910 8.6170248e-07 -2213.2998 -2213.2998 -3398.0514 3398.0514 2920 2.9773248e-06 -2213.301 -2213.301 -3395.6131 3395.6131 2930 9.8212459e-06 -2213.3047 -2213.3047 -3386.0795 3386.0795 2940 1.7499882e-05 -2213.3119 -2213.3119 -3385.5408 3385.5408 2950 3.0177192e-05 -2213.3285 -2213.3285 -3378.4369 3378.4369 2960 2.7297197e-06 -2213.3362 -2213.3362 -3385.0627 3385.0627 2970 1.8638665e-07 -2213.3364 -2213.3364 -3383.5138 3383.5138 2980 5.9603793e-07 -2213.3367 -2213.3367 -3383.3198 3383.3198 2990 7.006857e-08 -2213.337 -2213.337 -3383.4814 3383.4814 3000 2.5559786e-08 -2213.337 -2213.337 -3383.4044 3383.4044 3010 1.8006636e-07 -2213.3371 -2213.3371 -3383.3905 3383.3905 3020 1.0650433e-08 -2213.3373 -2213.3373 -3383.4344 3383.4344 3030 4.1364453e-09 -2213.3373 -2213.3373 -3383.3959 3383.3959 3040 2.8522864e-08 -2213.3373 -2213.3373 -3383.4109 3383.4109 3048 9.9091054e-08 -2213.3373 -2213.3373 -3383.4013 3383.4013 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 = -2213.29924988 -2213.3373174 -2213.33732599 Force two-norm initial, final = 0.434148 0.00859296 Force max component initial, final = 0.0470123 0.000544088 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 198 198 Pair time (%) = 0.176011 (89.9318) Neigh time (%) = 0 (0) Comm time (%) = 0.00159001 (0.812409) Outpt time (%) = 0.00128007 (0.654045) Other time (%) = 0.016835 (8.60174) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 3048 0 -2213.3373 -2213.3373 -3383.4013 3383.4013 3050 2.0685786e-15 -2213.3373 -2213.3373 -3383.4013 3383.4013 3060 1.0853733e-13 -2213.3373 -2213.3373 -3383.4013 3383.4013 3070 1.0179844e-12 -2213.3373 -2213.3373 -3383.4013 3383.4013 3080 4.7056433e-12 -2213.3373 -2213.3373 -3383.4013 3383.4013 3090 2.507672e-11 -2213.3373 -2213.3373 -3383.4013 3383.4013 3100 9.7109667e-11 -2213.3373 -2213.3373 -3383.4013 3383.4013 3110 4.71242e-10 -2213.3373 -2213.3373 -3383.4012 3383.4012 3115 8.8256003e-10 -2213.3373 -2213.3373 -3383.401 3383.401 Loop time of 0.067472 on 1 procs for 67 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732599 -2213.33732647 -2213.33732653 Force two-norm initial, final = 0.00859296 0.00855192 Force max component initial, final = 0.000544088 0.000540359 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 67 67 Pair time (%) = 0.0600731 (89.0342) Neigh time (%) = 0 (0) Comm time (%) = 0.000549078 (0.813787) Outpt time (%) = 0.000467062 (0.692231) Other time (%) = 0.0063827 (9.45978) 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 = 4.77839 Mbytes Step Temp PotEng pe Press press 2850 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2860 2404.5912 -2027.7236 -2027.7236 15399.233 -15399.233 2870 2423.0464 -2028.5981 -2028.5981 15072.057 -15072.057 2880 2426.0526 -2028.4878 -2028.4878 13984.219 -13984.219 2890 2392.1902 -2025.9832 -2025.9832 13627.144 -13627.144 2900 2385.9017 -2025.2937 -2025.2937 14438.04 -14438.04 Loop time of 0.12399 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.46503 Mbytes Step Temp PotEng pe Press press 2900 2385.9017 -2025.2937 -2025.2937 14438.04 -14438.04 2923 2385.9017 -2213.3079 -2213.3079 13002.592 -13002.592 Loop time of 0.0507891 on 1 procs for 23 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.29370324 -2213.29495158 -2213.30793757 Force two-norm initial, final = 69.5104 0.331641 Force max component initial, final = 7.176 0.0440265 Final line search alpha, max atom move = 0.0512131 0.00225473 Iterations, force evaluations = 23 44 Pair time (%) = 0.228643 (450.182) Neigh time (%) = 0.00334692 (6.58984) Comm time (%) = 0.00142622 (2.80812) Outpt time (%) = 0.000814915 (1.60451) Other time (%) = -0.183442 (-361.184) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.2743 Mbytes Step Temp PotEng pe Press press 2900 0 -2213.2992 -2213.2992 -3398.9572 3398.9572 2910 1.6279599e-10 -2213.2992 -2213.2992 -3398.9571 3398.9571 2920 1.7848979e-09 -2213.2993 -2213.2993 -3398.9555 3398.9555 2930 8.7136686e-09 -2213.2993 -2213.2993 -3398.9483 3398.9483 2940 4.6792701e-08 -2213.2993 -2213.2993 -3398.9094 3398.9094 2950 1.8329523e-07 -2213.2994 -2213.2994 -3398.7676 3398.7676 2960 8.5509924e-07 -2213.2998 -2213.2998 -3398.0536 3398.0536 2970 2.8538995e-06 -2213.301 -2213.301 -3395.6492 3395.6492 2980 7.7919122e-06 -2213.3044 -2213.3044 -3386.606 3386.606 2990 1.7802302e-05 -2213.3114 -2213.3114 -3385.7255 3385.7255 3000 4.149707e-05 -2213.3297 -2213.3297 -3381.5721 3381.5721 3010 1.9587309e-06 -2213.3368 -2213.3368 -3377.5836 3377.5836 3020 2.2635944e-07 -2213.3372 -2213.3372 -3383.5118 3383.5118 3030 2.4648745e-07 -2213.3373 -2213.3373 -3383.7321 3383.7321 3040 3.3556561e-08 -2213.3373 -2213.3373 -3383.2212 3383.2212 3050 5.6671949e-08 -2213.3373 -2213.3373 -3383.6606 3383.6606 3052 9.1091125e-08 -2213.3374 -2213.3374 -3383.5584 3383.5584 Loop time of 0.152907 on 1 procs for 152 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29924988 -2213.33734737 -2213.33735747 Force two-norm initial, final = 0.434148 0.00951572 Force max component initial, final = 0.0470123 0.000998659 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 152 152 Pair time (%) = 0.136476 (89.2545) Neigh time (%) = 0 (0) Comm time (%) = 0.00122619 (0.801917) Outpt time (%) = 0.00101495 (0.663769) Other time (%) = 0.0141895 (9.27982) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 3052 0 -2213.3374 -2213.3374 -3383.5584 3383.5584 3053 6.3417579e-16 -2213.3374 -2213.3374 -3383.5584 3383.5584 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 = -2213.33735747 -2213.33735747 -2213.33735747 Force two-norm initial, final = 0.00951572 0.00951572 Force max component initial, final = 0.000998659 0.000998659 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018599 (89.5843) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.757924) Outpt time (%) = 0 (0) Other time (%) = 0.00020051 (9.65779) 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 = 5.2743 Mbytes Step Temp PotEng pe Press press 2900 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2910 2403.4593 -2027.7367 -2027.7367 15389.133 -15389.133 2920 2421.5309 -2028.6582 -2028.6582 15053.071 -15053.071 2930 2424.2302 -2028.5849 -2028.5849 13962.455 -13962.455 2940 2390.1271 -2026.1069 -2026.1069 13607.108 -13607.108 2950 2384.0336 -2025.4579 -2025.4579 14419.37 -14419.37 Loop time of 0.123515 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 5.96094 Mbytes Step Temp PotEng pe Press press 2950 2384.0336 -2025.4579 -2025.4579 14419.37 -14419.37 2972 2384.0336 -2213.2979 -2213.2979 12986.291 -12986.291 Loop time of 0.0476751 on 1 procs for 22 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.45791285 -2213.2839242 -2213.29793441 Force two-norm initial, final = 69.4843 0.612751 Force max component initial, final = 7.17247 0.0619012 Final line search alpha, max atom move = 0.125 0.00773765 Iterations, force evaluations = 22 41 Pair time (%) = 0.166952 (350.188) Neigh time (%) = 0.00334787 (7.02226) Comm time (%) = 0.000874281 (1.83383) Outpt time (%) = 0.00033617 (0.705127) Other time (%) = -0.123836 (-259.749) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 5.77021 Mbytes Step Temp PotEng pe Press press 2950 0 -2213.2992 -2213.2992 -3398.9572 3398.9572 2960 1.6279608e-10 -2213.2992 -2213.2992 -3398.9571 3398.9571 2970 1.7849125e-09 -2213.2993 -2213.2993 -3398.9555 3398.9555 2980 8.7141869e-09 -2213.2993 -2213.2993 -3398.9483 3398.9483 2990 4.6805541e-08 -2213.2993 -2213.2993 -3398.9094 3398.9094 3000 1.8355286e-07 -2213.2994 -2213.2994 -3398.7676 3398.7676 3010 8.6001101e-07 -2213.2998 -2213.2998 -3398.052 3398.052 3020 2.9426873e-06 -2213.301 -2213.301 -3395.6229 3395.6229 3030 8.8734387e-06 -2213.3046 -2213.3046 -3386.2672 3386.2672 3040 1.7104048e-05 -2213.3116 -2213.3116 -3385.5173 3385.5173 3050 3.6204329e-05 -2213.3291 -2213.3291 -3379.711 3379.711 3060 2.0470768e-06 -2213.3363 -2213.3363 -3384.0926 3384.0926 3070 2.4644478e-07 -2213.3364 -2213.3364 -3383.4077 3383.4077 3080 5.7172137e-07 -2213.3366 -2213.3366 -3383.3779 3383.3779 3090 7.902199e-08 -2213.337 -2213.337 -3383.4738 3383.4738 3100 2.585999e-08 -2213.337 -2213.337 -3383.4027 3383.4027 3110 1.5972969e-07 -2213.3371 -2213.3371 -3383.4101 3383.4101 3120 3.6980881e-07 -2213.3373 -2213.3373 -3383.3653 3383.3653 3125 4.8892782e-08 -2213.3373 -2213.3373 -3383.395 3383.395 Loop time of 0.171269 on 1 procs for 175 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29924988 -2213.33732995 -2213.33733553 Force two-norm initial, final = 0.434148 0.00889384 Force max component initial, final = 0.0470123 0.000627106 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 175 175 Pair time (%) = 0.155857 (91.0014) Neigh time (%) = 0 (0) Comm time (%) = 0.00139594 (0.815057) Outpt time (%) = 0.00114584 (0.669029) Other time (%) = 0.0128701 (7.51453) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 3125 0 -2213.3373 -2213.3373 -3383.395 3383.395 3126 5.5399387e-16 -2213.3373 -2213.3373 -3383.395 3383.395 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 = -2213.33733553 -2213.33733553 -2213.33733553 Force two-norm initial, final = 0.00889384 0.00889384 Force max component initial, final = 0.000627106 0.000627106 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (89.6101) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.81422) Outpt time (%) = 0 (0) Other time (%) = 0.00019908 (9.57569) 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 = 5.77021 Mbytes Step Temp PotEng pe Press press 2950 2412.7887 -2028.6392 -2028.6392 13684.123 -13684.123 2960 2403.3056 -2027.739 -2027.739 15387.673 -15387.673 2970 2421.5097 -2028.6655 -2028.6655 15051.928 -15051.928 2980 2424.4699 -2028.5872 -2028.5872 13964.417 -13964.417 2990 2390.7679 -2026.0936 -2026.0936 13614.412 -13614.412 3000 2385.3144 -2025.421 -2025.421 14433.761 -14433.761 Loop time of 0.123146 on 1 procs for 50 steps with 511 atoms Memory usage per processor = 6.45685 Mbytes Step Temp PotEng pe Press press 3000 2385.3144 -2025.421 -2025.421 14433.761 -14433.761 3021 2385.3144 -2213.277 -2213.277 12990.841 -12990.841 Loop time of 0.0439379 on 1 procs for 21 steps with 511 atoms Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -2025.42101724 -2213.26051876 -2213.27699844 Force two-norm initial, final = 69.4956 0.686228 Force max component initial, final = 7.17382 0.0925357 Final line search alpha, max atom move = 0.125 0.011567 Iterations, force evaluations = 21 37 Pair time (%) = 0.162951 (370.867) Neigh time (%) = 0.00333977 (7.6011) Comm time (%) = 0.000845909 (1.92524) Outpt time (%) = 0.000329018 (0.748824) Other time (%) = -0.123528 (-281.142) 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: 14252 ave 14252 max 14252 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14252 Ave neighs/atom = 27.8904 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 6.26612 Mbytes Step Temp PotEng pe Press press 3000 0 -2213.2992 -2213.2992 -3398.9572 3398.9572 3010 1.6279611e-10 -2213.2992 -2213.2992 -3398.9571 3398.9571 3020 1.7849169e-09 -2213.2993 -2213.2993 -3398.9555 3398.9555 3030 8.7143444e-09 -2213.2993 -2213.2993 -3398.9483 3398.9483 3040 4.6809443e-08 -2213.2993 -2213.2993 -3398.9094 3398.9094 3050 1.8363125e-07 -2213.2994 -2213.2994 -3398.7676 3398.7676 3060 8.615133e-07 -2213.2998 -2213.2998 -3398.0515 3398.0515 3070 2.9706268e-06 -2213.301 -2213.301 -3395.6147 3395.6147 3080 9.1809224e-06 -2213.3046 -2213.3046 -3386.1629 3386.1629 3090 1.6200234e-05 -2213.3115 -2213.3115 -3385.2769 3385.2769 3100 3.477492e-05 -2213.3287 -2213.3287 -3379.189 3379.189 3110 1.8586562e-06 -2213.3361 -2213.3361 -3384.1799 3384.1799 3120 2.4657993e-07 -2213.3362 -2213.3362 -3383.4056 3383.4056 3130 5.866218e-07 -2213.3365 -2213.3365 -3383.4177 3383.4177 3140 1.5669642e-06 -2213.3371 -2213.3371 -3383.3353 3383.3353 3150 1.6143736e-08 -2213.3372 -2213.3372 -3383.4499 3383.4499 3160 1.0569346e-07 -2213.3373 -2213.3373 -3383.4684 3383.4684 3170 1.1315902e-08 -2213.3374 -2213.3374 -3383.4718 3383.4718 3172 3.3084517e-08 -2213.3374 -2213.3374 -3383.4022 3383.4022 Loop time of 0.1693 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29924988 -2213.33736485 -2213.33736852 Force two-norm initial, final = 0.434148 0.00652488 Force max component initial, final = 0.0470123 0.000618493 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.153335 (90.5697) Neigh time (%) = 0 (0) Comm time (%) = 0.00138927 (0.820593) Outpt time (%) = 0.00115895 (0.684555) Other time (%) = 0.0134172 (7.92513) 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 = 6.26612 Mbytes Step Temp PotEng pe Press press 3172 0 -2213.3374 -2213.3374 -3383.4022 3383.4022 3173 2.9817463e-16 -2213.3374 -2213.3374 -3383.4022 3383.4022 Loop time of 0.00214005 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736852 -2213.33736852 -2213.33736852 Force two-norm initial, final = 0.00652488 0.00652488 Force max component initial, final = 0.000618493 0.000618493 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186205 (87.0098) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.757576) Outpt time (%) = 0 (0) Other time (%) = 0.000261784 (12.2326) 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 39.1984 on 1 procs for 21 steps with 511 atoms TAD stats: NEB time (%) = 18.1767 (46.371) Dynamics time (%) = 14.3192 (36.5302) Quench time (%) = 5.67996 (14.4903) Comm time (%) = 0 (0) Output time (%) = 0 (0) Other time (%) = 1.02251 (2.60855) 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 = 327 Dangerous builds = 0