LAMMPS (1 Feb 2014) Processor partition = 2 # temperature accelerated dynamics model for a single vacancy in bulk Si # events occur when a neighboring atom diffuses to the vacant site # run this on multiple partitions as # mpirun -np 3 lmp_g++ -partition 3x1 -in in.tad units metal atom_style atomic atom_modify map array boundary p p p atom_modify sort 0 0.0 # temperatures variable tlo equal 1800.0 variable thi equal 2400.0 # coordination number cutoff variable r equal 2.835 # minimization parameters variable etol equal 1.0e-5 variable ftol equal 1.0e-5 variable maxiter equal 100 variable maxeval equal 100 variable dmax equal 1.0e-1 # diamond unit cell variable a equal 5.431 lattice custom $a a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.0 0.0 0.0 basis 0.0 0.5 0.5 basis 0.5 0.0 0.5 basis 0.5 0.5 0.0 basis 0.25 0.25 0.25 basis 0.25 0.75 0.75 basis 0.75 0.25 0.75 basis 0.75 0.75 0.25 lattice custom 5.431 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 2.32818 on 1 procs for 1000 steps with 511 atoms Pair time (%) = 2.24292 (96.338) Neigh time (%) = 0.038924 (1.67186) Comm time (%) = 0.00952697 (0.409203) Outpt time (%) = 0.00082469 (0.0354221) Other time (%) = 0.0359831 (1.54555) 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 2.835 #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] # [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 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 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 neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1e-05 ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1e-05 1e-05 ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1e-05 1e-05 100 ${maxeval} neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1e-05 1e-05 100 100 neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb 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 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 0.0572851 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 (%) = 2.29757 (4010.76) Neigh time (%) = 0.0402651 (70.289) Comm time (%) = 0.00998044 (17.4224) Outpt time (%) = 0.000959635 (1.67519) Other time (%) = -2.29149 (-4000.14) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 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 = 4.12988 Mbytes Step Temp PotEng pe Press press 1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1150 0 -2210.3277 -2210.3277 -2894.1659 2894.1659 1160 0.045546186 -2210.3303 -2210.3303 -2888.8827 2888.8827 1170 0.22408906 -2210.342 -2210.342 -2849.8485 2849.8485 1180 0.32576846 -2210.3587 -2210.3587 -2889.0302 2889.0302 1190 1.6466557 -2210.2953 -2210.2953 -2853.5307 2853.5307 1200 1.62901 -2210.3667 -2210.3667 -2872.4503 2872.4503 1210 0.098334254 -2210.3767 -2210.3767 -2882.5374 2882.5374 1220 0.099325856 -2210.3776 -2210.3776 -2869.2007 2869.2007 1230 0.24054943 -2210.3781 -2210.3781 -2865.9151 2865.9151 1240 0.21405435 -2210.3783 -2210.3783 -2903.1924 2903.1924 1250 0.011952849 -2210.3557 -2210.3557 -2955.1853 2955.1853 1260 0.020229835 -2210.3779 -2210.3779 -2911.9658 2911.9658 1270 0.045461562 -2210.3796 -2210.3796 -2876.6379 2876.6379 1280 0.061069517 -2210.366 -2210.366 -2946.7737 2946.7737 1290 0.091391588 -2210.3795 -2210.3795 -2898.9097 2898.9097 1300 0.0073476116 -2210.38 -2210.38 -2887.8397 2887.8397 1310 0.00027778199 -2210.3796 -2210.3796 -2898.5456 2898.5456 1320 2.0186862e-05 -2210.38 -2210.38 -2889.6673 2889.6673 1330 9.4409234e-06 -2210.38 -2210.38 -2886.868 2886.868 1340 0.00011717411 -2210.38 -2210.38 -2885.2476 2885.2476 1350 0.0002291281 -2210.38 -2210.38 -2887.003 2887.003 Loop time of 0.207195 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2210.32771293 -2210.37998452 -2210.379989 Force two-norm initial, final = 0.761559 0.0217685 Force max component initial, final = 0.141109 0.0111734 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.185635 (89.5944) Neigh time (%) = 0 (0) Comm time (%) = 0.00158811 (0.766479) Outpt time (%) = 0.0014019 (0.676609) Other time (%) = 0.0185699 (8.96254) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14232 ave 14232 max 14232 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14232 Ave neighs/atom = 27.8513 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1350 0 -2210.38 -2210.38 -2887.0046 2887.0046 1360 3.4226151e-05 -2210.38 -2210.38 -2887.2528 2887.2528 1365 8.5273308e-05 -2210.38 -2210.38 -2887.8494 2887.8494 Loop time of 0.0162449 on 1 procs for 15 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2210.379989 -2210.37999352 -2210.37999417 Force two-norm initial, final = 0.0217685 0.00819984 Force max component initial, final = 0.0111734 0.00419214 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 15 15 Pair time (%) = 0.0149157 (91.8178) Neigh time (%) = 0 (0) Comm time (%) = 0.000126362 (0.777856) Outpt time (%) = 6.79493e-05 (0.418281) Other time (%) = 0.00113487 (6.98603) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14232 ave 14232 max 14232 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14232 Ave neighs/atom = 27.8513 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1550 0 -2213.2368 -2213.2368 -3396.2547 3396.2547 1560 0.017553826 -2213.2378 -2213.2378 -3395.5076 3395.5076 1570 0.18840366 -2213.247 -2213.247 -3389.484 3389.484 1580 0.71975322 -2213.2878 -2213.2878 -3386.1174 3386.1174 1590 0.17099262 -2213.3318 -2213.3318 -3385.0303 3385.0303 1600 0.00030807027 -2213.3329 -2213.3329 -3385.0577 3385.0577 1610 0.010638043 -2213.3335 -2213.3335 -3383.4929 3383.4929 1620 0.04133535 -2213.3359 -2213.3359 -3383.8146 3383.8146 1630 0.00025979093 -2213.3363 -2213.3363 -3383.9564 3383.9564 1640 0.0028240133 -2213.3365 -2213.3365 -3383.1854 3383.1854 1650 0.0003080049 -2213.337 -2213.337 -3383.2463 3383.2463 1660 0.00024316945 -2213.337 -2213.337 -3383.4398 3383.4398 1670 0.0021452615 -2213.3371 -2213.3371 -3383.4536 3383.4536 1680 0.0013817777 -2213.3374 -2213.3374 -3383.4174 3383.4174 Loop time of 0.131215 on 1 procs for 130 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.23675492 -2213.33734116 -2213.33736215 Force two-norm initial, final = 0.469509 0.00903333 Force max component initial, final = 0.0569166 0.000708199 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 130 130 Pair time (%) = 0.114941 (87.5977) Neigh time (%) = 0 (0) Comm time (%) = 0.00104594 (0.79712) Outpt time (%) = 0.00079608 (0.606698) Other time (%) = 0.0144317 (10.9985) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1680 0 -2213.3374 -2213.3374 -3383.4269 3383.4269 1681 5.3204055e-08 -2213.3374 -2213.3374 -3383.4269 3383.4269 Loop time of 0.00214791 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736215 -2213.33736215 -2213.33736215 Force two-norm initial, final = 0.00903333 0.00903333 Force max component initial, final = 0.000708199 0.000708199 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185823 (86.5135) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.732601) Outpt time (%) = 0 (0) Other time (%) = 0.000273943 (12.7539) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1950 0 -2210.3201 -2210.3201 -2984.6338 2984.6338 1960 0.013861641 -2210.3209 -2210.3209 -2987.1748 2987.1748 1970 0.093792212 -2210.3255 -2210.3255 -3002.387 3002.387 1980 0.011635204 -2210.3308 -2210.3308 -2996.1387 2996.1387 1990 0.00027978743 -2210.337 -2210.337 -2987.537 2987.537 2000 0.058574477 -2210.3397 -2210.3397 -2986.8033 2986.8033 2010 0.0016154609 -2210.3515 -2210.3515 -2974.0646 2974.0646 2020 0.066783969 -2210.3559 -2210.3559 -2966.1412 2966.1412 2030 7.0632173e-05 -2210.3589 -2210.3589 -2961.3173 2961.3173 2040 0.012923444 -2210.3595 -2210.3595 -2959.2601 2959.2601 2050 0.062253153 -2210.3637 -2210.3637 -2944.6213 2944.6213 2060 0.00011308861 -2210.3663 -2210.3663 -2925.7193 2925.7193 2070 7.8462036e-05 -2210.3664 -2210.3664 -2925.3413 2925.3413 2080 9.313444e-06 -2210.3665 -2210.3665 -2924.6479 2924.6479 2090 0.00030497145 -2210.3665 -2210.3665 -2924.3389 2924.3389 2100 0.0015156372 -2210.3666 -2210.3666 -2920.7061 2920.7061 2110 8.2443083e-06 -2210.3666 -2210.3666 -2918.6538 2918.6538 2120 0.00024131981 -2210.3666 -2210.3666 -2918.0428 2918.0428 2130 0.0010699525 -2210.3667 -2210.3667 -2912.9843 2912.9843 2134 2.7296435e-05 -2210.3667 -2210.3667 -2911.8308 2911.8308 Loop time of 0.18685 on 1 procs for 184 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2210.32008703 -2210.36673131 -2210.36673191 Force two-norm initial, final = 0.420868 0.00515073 Force max component initial, final = 0.164469 0.00106042 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 184 184 Pair time (%) = 0.170303 (91.1444) Neigh time (%) = 0 (0) Comm time (%) = 0.00148606 (0.795324) Outpt time (%) = 0.001194 (0.639015) Other time (%) = 0.0138667 (7.42128) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14222 ave 14222 max 14222 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14222 Ave neighs/atom = 27.8317 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2134 0 -2210.3667 -2210.3667 -2911.831 2911.831 2135 1.7297653e-08 -2210.3667 -2210.3667 -2911.831 2911.831 Loop time of 0.00218916 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2210.36673191 -2210.36673191 -2210.36673191 Force two-norm initial, final = 0.00515073 0.00515073 Force max component initial, final = 0.00106042 0.00106042 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0019598 (89.523) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.718798) Outpt time (%) = 0 (0) Other time (%) = 0.000213623 (9.75822) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14230 ave 14230 max 14230 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14230 Ave neighs/atom = 27.8474 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.3234 -2213.3234 -3384.2624 3384.2624 2360 0.021147041 -2213.3247 -2213.3247 -3384.1653 3384.1653 2370 0.11096211 -2213.3304 -2213.3304 -3383.1015 3383.1015 2380 0.07433347 -2213.3334 -2213.3334 -3383.0791 3383.0791 2390 0.00028879764 -2213.335 -2213.335 -3383.6045 3383.6045 2400 0.018265242 -2213.3361 -2213.3361 -3383.2468 3383.2468 2410 0.014442352 -2213.3359 -2213.3359 -3382.5336 3382.5336 2420 0.0023103136 -2213.3369 -2213.3369 -3383.5229 3383.5229 2430 0.0071629319 -2213.3373 -2213.3373 -3383.4714 3383.4714 2440 0.0019261358 -2213.3373 -2213.3373 -3383.5031 3383.5031 2450 0.00078060631 -2213.3373 -2213.3373 -3383.3638 3383.3638 2460 0.00094126202 -2213.3373 -2213.3373 -3383.6061 3383.6061 2470 5.74295e-05 -2213.3374 -2213.3374 -3383.4876 3383.4876 2480 0.00022803071 -2213.3374 -2213.3374 -3383.3061 3383.3061 2490 6.098431e-05 -2213.3374 -2213.3374 -3383.3865 3383.3865 2500 0.00021613268 -2213.3374 -2213.3374 -3383.4454 3383.4454 2505 6.6755188e-05 -2213.3374 -2213.3374 -3383.3914 3383.3914 Loop time of 0.154501 on 1 procs for 155 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32344578 -2213.33738474 -2213.33738533 Force two-norm initial, final = 0.528632 0.0022528 Force max component initial, final = 0.0645645 0.000205983 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 155 155 Pair time (%) = 0.136355 (88.2548) Neigh time (%) = 0 (0) Comm time (%) = 0.00125432 (0.811851) Outpt time (%) = 0.00100398 (0.649821) Other time (%) = 0.0158882 (10.2836) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2505 0 -2213.3374 -2213.3374 -3383.3919 3383.3919 2506 3.308969e-09 -2213.3374 -2213.3374 -3383.3919 3383.3919 Loop time of 0.00214386 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738533 -2213.33738533 -2213.33738533 Force two-norm initial, final = 0.0022528 0.0022528 Force max component initial, final = 0.000205983 0.000205983 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018611 (86.8105) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.800712) Outpt time (%) = 0 (0) Other time (%) = 0.000265598 (12.3888) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2800 0 -2210.2791 -2210.2791 -2897.8685 2897.8685 2810 0.055196749 -2210.2823 -2210.2823 -2896.5061 2896.5061 2820 0.42334092 -2210.3027 -2210.3027 -2883.5601 2883.5601 2830 0.032665693 -2210.3133 -2210.3133 -2879.5314 2879.5314 2840 0.29048201 -2210.3287 -2210.3287 -2883.4205 2883.4205 2850 0.041240012 -2210.3444 -2210.3444 -2886.0946 2886.0946 2860 0.0048994194 -2210.352 -2210.352 -2885.7211 2885.7211 2870 0.07808985 -2210.3569 -2210.3569 -2889.2821 2889.2821 2880 5.3891409e-05 -2210.3618 -2210.3618 -2891.9553 2891.9553 2890 0.0090531794 -2210.3624 -2210.3624 -2893.3718 2893.3718 2900 7.7295186e-05 -2210.3648 -2210.3648 -2896.7351 2896.7351 2910 0.00088421571 -2210.3649 -2210.3649 -2896.2499 2896.2499 2920 0.010484186 -2210.3655 -2210.3655 -2897.499 2897.499 2930 2.4767438e-05 -2210.3667 -2210.3667 -2902.7969 2902.7969 2940 0.00010008692 -2210.3667 -2210.3667 -2902.9066 2902.9066 2950 7.1077893e-06 -2210.3667 -2210.3667 -2903.5861 2903.5861 2956 7.606203e-05 -2210.3667 -2210.3667 -2903.7449 2903.7449 Loop time of 0.158588 on 1 procs for 156 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2210.27913224 -2210.36673821 -2210.3667393 Force two-norm initial, final = 0.825084 0.00489118 Force max component initial, final = 0.110945 0.000655369 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 156 156 Pair time (%) = 0.145183 (91.5469) Neigh time (%) = 0 (0) Comm time (%) = 0.00125718 (0.792733) Outpt time (%) = 0.00101614 (0.640741) Other time (%) = 0.0111322 (7.01959) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14230 ave 14230 max 14230 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14230 Ave neighs/atom = 27.8474 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2956 0 -2210.3667 -2210.3667 -2903.7455 2903.7455 2957 1.5598239e-08 -2210.3667 -2210.3667 -2903.7455 2903.7455 Loop time of 0.00216699 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2210.3667393 -2210.3667393 -2210.3667393 Force two-norm initial, final = 0.00489118 0.00489118 Force max component initial, final = 0.000655369 0.000655369 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00196528 (90.692) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.781164) Outpt time (%) = 0 (0) Other time (%) = 0.000184774 (8.52679) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14230 ave 14230 max 14230 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14230 Ave neighs/atom = 27.8474 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1600 0 -2213.3006 -2213.3006 -3388.355 3388.355 1610 0.024904334 -2213.302 -2213.302 -3388.0528 3388.0528 1620 0.17393521 -2213.3116 -2213.3116 -3385.3608 3385.3608 1630 0.2853863 -2213.3253 -2213.3253 -3382.7654 3382.7654 1640 0.084084125 -2213.3077 -2213.3077 -3389.125 3389.125 1650 0.092294549 -2213.3356 -2213.3356 -3383.3091 3383.3091 1660 0.01116176 -2213.3362 -2213.3362 -3383.3982 3383.3982 1670 0.0001987559 -2213.337 -2213.337 -3383.5766 3383.5766 1680 0.00011721262 -2213.3372 -2213.3372 -3383.3141 3383.3141 1690 0.0010207951 -2213.3373 -2213.3373 -3383.3875 3383.3875 1700 0.0015522902 -2213.3373 -2213.3373 -3383.4571 3383.4571 1710 4.5862252e-05 -2213.3374 -2213.3374 -3383.4051 3383.4051 1719 0.00027787844 -2213.3374 -2213.3374 -3383.4055 3383.4055 Loop time of 0.119257 on 1 procs for 119 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30055148 -2213.33737714 -2213.33737981 Force two-norm initial, final = 0.56712 0.00690725 Force max component initial, final = 0.0597908 0.000629412 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 119 119 Pair time (%) = 0.105001 (88.0458) Neigh time (%) = 0 (0) Comm time (%) = 0.000971079 (0.814273) Outpt time (%) = 0.000755072 (0.633145) Other time (%) = 0.0125301 (10.5068) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1719 0 -2213.3374 -2213.3374 -3383.4074 3383.4074 1720 3.110711e-08 -2213.3374 -2213.3374 -3383.4074 3383.4074 1730 4.8974483e-06 -2213.3374 -2213.3374 -3383.407 3383.407 1740 3.9267885e-05 -2213.3374 -2213.3374 -3383.4039 3383.4039 1750 0.0001017705 -2213.3374 -2213.3374 -3383.3961 3383.3961 1760 1.3224388e-05 -2213.3374 -2213.3374 -3383.3928 3383.3928 1770 2.1498068e-07 -2213.3374 -2213.3374 -3383.395 3383.395 1780 1.3730472e-06 -2213.3374 -2213.3374 -3383.3939 3383.3939 1790 7.310121e-08 -2213.3374 -2213.3374 -3383.3952 3383.3952 1800 4.3321842e-07 -2213.3374 -2213.3374 -3383.3943 3383.3943 1810 2.7572734e-08 -2213.3374 -2213.3374 -3383.3945 3383.3945 1820 7.3132811e-09 -2213.3374 -2213.3374 -3383.3945 3383.3945 1830 1.1486682e-09 -2213.3374 -2213.3374 -3383.3946 3383.3946 1840 7.674849e-09 -2213.3374 -2213.3374 -3383.3946 3383.3946 1850 6.7243141e-10 -2213.3374 -2213.3374 -3383.3946 3383.3946 1860 2.8260498e-10 -2213.3374 -2213.3374 -3383.3946 3383.3946 1870 1.0348422e-09 -2213.3374 -2213.3374 -3383.3946 3383.3946 1880 3.4183831e-10 -2213.3374 -2213.3374 -3383.3946 3383.3946 1890 4.4309163e-11 -2213.3374 -2213.3374 -3383.3946 3383.3946 1900 3.0520164e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 1910 3.5416723e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 1919 1.0442036e-11 -2213.3374 -2213.3374 -3383.3946 3383.3946 Loop time of 0.200056 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33737981 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00690725 3.52795e-06 Force max component initial, final = 0.000629412 3.04112e-07 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.17532 (87.6357) Neigh time (%) = 0 (0) Comm time (%) = 0.00159597 (0.797764) Outpt time (%) = 0.00140595 (0.702781) Other time (%) = 0.0217335 (10.8637) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1650 0 -2213.3239 -2213.3239 -3386.1773 3386.1773 1660 0.0073195324 -2213.3243 -2213.3243 -3385.9042 3385.9042 1670 0.034808767 -2213.3262 -2213.3262 -3383.8619 3383.8619 1680 0.086260095 -2213.3306 -2213.3306 -3385.0112 3385.0112 1690 0.23287764 -2213.3364 -2213.3364 -3382.4189 3382.4189 1700 0.00022645346 -2213.3367 -2213.3367 -3383.6451 3383.6451 1710 0.0024220359 -2213.3369 -2213.3369 -3383.163 3383.163 1720 0.0091637283 -2213.3371 -2213.3371 -3383.5561 3383.5561 1730 7.9032073e-05 -2213.3372 -2213.3372 -3383.4277 3383.4277 1740 0.00059108847 -2213.3372 -2213.3372 -3383.3729 3383.3729 1750 0.0033651771 -2213.3373 -2213.3373 -3383.4476 3383.4476 1760 0.00032229209 -2213.3374 -2213.3374 -3383.3983 3383.3983 1770 2.0327355e-05 -2213.3374 -2213.3374 -3383.4045 3383.4045 1778 6.2624972e-05 -2213.3374 -2213.3374 -3383.3969 3383.3969 Loop time of 0.129143 on 1 procs for 128 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32390268 -2213.33737673 -2213.33737751 Force two-norm initial, final = 0.312392 0.00416702 Force max component initial, final = 0.0388694 0.000332204 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 128 128 Pair time (%) = 0.11267 (87.2443) Neigh time (%) = 0 (0) Comm time (%) = 0.00103927 (0.804741) Outpt time (%) = 0.000793695 (0.614587) Other time (%) = 0.0146401 (11.3363) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1778 0 -2213.3374 -2213.3374 -3383.3973 3383.3973 1779 1.1321371e-08 -2213.3374 -2213.3374 -3383.3973 3383.3973 Loop time of 0.00214791 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737751 -2213.33737751 -2213.33737751 Force two-norm initial, final = 0.00416702 0.00416702 Force max component initial, final = 0.000332204 0.000332204 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (86.1361) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.699301) Outpt time (%) = 0 (0) Other time (%) = 0.000282764 (13.1646) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.2886 -2213.2886 -3394.8999 3394.8999 1710 0.0160429 -2213.2896 -2213.2896 -3394.1275 3394.1275 1720 0.15052697 -2213.2972 -2213.2972 -3387.9759 3387.9759 1730 0.46170608 -2213.3232 -2213.3232 -3386.2036 3386.2036 1740 0.23385306 -2213.3308 -2213.3308 -3382.6129 3382.6129 1750 0.00048817691 -2213.3326 -2213.3326 -3383.0056 3383.0056 1760 0.017512121 -2213.3336 -2213.3336 -3381.7248 3381.7248 1770 0.058785624 -2213.3369 -2213.3369 -3382.9073 3382.9073 1780 0.00018314105 -2213.337 -2213.337 -3383.3961 3383.3961 1790 0.001917536 -2213.3371 -2213.3371 -3383.2239 3383.2239 1800 0.0049773631 -2213.3373 -2213.3373 -3383.5606 3383.5606 1810 0.00047592996 -2213.3374 -2213.3374 -3383.4259 3383.4259 1820 0.00012077354 -2213.3374 -2213.3374 -3383.4429 3383.4429 1829 0.00032431061 -2213.3374 -2213.3374 -3383.4122 3383.4122 Loop time of 0.132432 on 1 procs for 129 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28864614 -2213.33736935 -2213.33737237 Force two-norm initial, final = 0.451586 0.00577365 Force max component initial, final = 0.0517507 0.000818055 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 129 129 Pair time (%) = 0.114317 (86.3215) Neigh time (%) = 0 (0) Comm time (%) = 0.00104642 (0.790154) Outpt time (%) = 0.000812054 (0.613184) Other time (%) = 0.0162563 (12.2752) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1829 0 -2213.3374 -2213.3374 -3383.4144 3383.4144 1830 2.1734533e-08 -2213.3374 -2213.3374 -3383.4144 3383.4144 Loop time of 0.00229192 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737237 -2213.33737237 -2213.33737237 Force two-norm initial, final = 0.00577365 0.00577365 Force max component initial, final = 0.000818055 0.000818055 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198388 (86.5599) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.696973) Outpt time (%) = 0 (0) Other time (%) = 0.000292063 (12.7432) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1650 0 -2213.2904 -2213.2904 -3383.9979 3383.9979 1660 0.028681846 -2213.292 -2213.292 -3384.1664 3384.1664 1670 0.16883815 -2213.3007 -2213.3007 -3384.9638 3384.9638 1680 0.34191519 -2213.3183 -2213.3183 -3381.3142 3381.3142 1690 0.075198166 -2213.3293 -2213.3293 -3382.3171 3382.3171 1700 0.029127506 -2213.3311 -2213.3311 -3384.3679 3384.3679 1710 0.010502292 -2213.3317 -2213.3317 -3383.9809 3383.9809 1720 0.038083824 -2213.3337 -2213.3337 -3383.8479 3383.8479 1730 7.0533167e-05 -2213.3357 -2213.3357 -3383.8304 3383.8304 1740 0.0035774877 -2213.3359 -2213.3359 -3383.2554 3383.2554 1750 0.016630978 -2213.3367 -2213.3367 -3382.7199 3382.7199 1760 0.00088001615 -2213.3369 -2213.3369 -3383.6241 3383.6241 1770 0.0029331969 -2213.3371 -2213.3371 -3383.4271 3383.4271 1780 0.00061575894 -2213.3371 -2213.3371 -3383.2461 3383.2461 1790 0.0003319294 -2213.3372 -2213.3372 -3383.4444 3383.4444 1800 2.3467317e-05 -2213.3373 -2213.3373 -3383.595 3383.595 1810 2.4569194e-05 -2213.3373 -2213.3373 -3383.366 3383.366 1820 0.00027932729 -2213.3373 -2213.3373 -3383.4321 3383.4321 1822 0.0004309948 -2213.3373 -2213.3373 -3383.399 3383.399 Loop time of 0.174798 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29035342 -2213.33730345 -2213.33730849 Force two-norm initial, final = 0.613581 0.00968487 Force max component initial, final = 0.0647895 0.000524498 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.151395 (86.6112) Neigh time (%) = 0 (0) Comm time (%) = 0.00135231 (0.773642) Outpt time (%) = 0.00114584 (0.655522) Other time (%) = 0.0209053 (11.9597) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1822 0 -2213.3373 -2213.3373 -3383.402 3383.402 1823 6.1155662e-08 -2213.3373 -2213.3373 -3383.402 3383.402 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 = -2213.33730849 -2213.33730849 -2213.33730849 Force two-norm initial, final = 0.00968487 0.00968487 Force max component initial, final = 0.000524498 0.000524498 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (83.9827) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.779221) Outpt time (%) = 0 (0) Other time (%) = 0.000335693 (15.2381) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.2885 -2213.2885 -3393.6273 3393.6273 1710 0.016881612 -2213.2895 -2213.2895 -3393.062 3393.062 1720 0.16804598 -2213.2977 -2213.2977 -3388.326 3388.326 1730 0.43382952 -2213.3222 -2213.3222 -3384.7315 3384.7315 1740 0.059405884 -2213.3314 -2213.3314 -3385.5995 3385.5995 1750 0.018813582 -2213.3324 -2213.3324 -3382.5191 3382.5191 1760 0.0014850506 -2213.3345 -2213.3345 -3384.8486 3384.8486 1770 0.00079010163 -2213.3347 -2213.3347 -3383.1425 3383.1425 1780 0.0091134365 -2213.3353 -2213.3353 -3383.721 3383.721 1790 0.030375811 -2213.3371 -2213.3371 -3382.0801 3382.0801 1800 0.00072029968 -2213.3372 -2213.3372 -3383.5096 3383.5096 1810 0.00013952465 -2213.3372 -2213.3372 -3383.4199 3383.4199 1820 0.00099292041 -2213.3373 -2213.3373 -3383.3641 3383.3641 1830 0.00033341994 -2213.3374 -2213.3374 -3383.148 3383.148 1838 0.00018358252 -2213.3374 -2213.3374 -3383.3902 3383.3902 Loop time of 0.139261 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28850602 -2213.33737525 -2213.33737621 Force two-norm initial, final = 0.461338 0.0045987 Force max component initial, final = 0.0845326 0.000569713 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.122032 (87.6282) Neigh time (%) = 0 (0) Comm time (%) = 0.00111032 (0.797291) Outpt time (%) = 0.000864267 (0.62061) Other time (%) = 0.0152545 (10.9539) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1838 0 -2213.3374 -2213.3374 -3383.3915 3383.3915 1839 1.3788561e-08 -2213.3374 -2213.3374 -3383.3915 3383.3915 Loop time of 0.00230813 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737621 -2213.33737621 -2213.33737621 Force two-norm initial, final = 0.0045987 0.0045987 Force max component initial, final = 0.000569713 0.000569713 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198293 (85.9105) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.650759) Outpt time (%) = 0 (0) Other time (%) = 0.000310183 (13.4387) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1750 0 -2213.2882 -2213.2882 -3394.5698 3394.5698 1760 0.016308859 -2213.2892 -2213.2892 -3393.883 3393.883 1770 0.16485541 -2213.2972 -2213.2972 -3388.2409 3388.2409 1780 0.43511913 -2213.322 -2213.322 -3385.2498 3385.2498 1790 0.056499427 -2213.3313 -2213.3313 -3386.2547 3386.2547 1800 0.019943421 -2213.3323 -2213.3323 -3382.2196 3382.2196 1810 0.0018598279 -2213.3344 -2213.3344 -3385.2158 3385.2158 1820 0.00085022238 -2213.3347 -2213.3347 -3383.0435 3383.0435 1830 0.0092655488 -2213.3352 -2213.3352 -3383.7906 3383.7906 1840 0.031464521 -2213.3371 -2213.3371 -3381.8223 3381.8223 1850 0.00087205709 -2213.3372 -2213.3372 -3383.5217 3383.5217 1860 0.00014872844 -2213.3372 -2213.3372 -3383.414 3383.414 1870 0.0010147104 -2213.3373 -2213.3373 -3383.3513 3383.3513 1880 0.00041102962 -2213.3374 -2213.3374 -3383.0959 3383.0959 1888 0.00022233823 -2213.3374 -2213.3374 -3383.3922 3383.3922 Loop time of 0.13923 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28822947 -2213.33737487 -2213.33737599 Force two-norm initial, final = 0.453321 0.00464768 Force max component initial, final = 0.0773247 0.000570748 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.122034 (87.6491) Neigh time (%) = 0 (0) Comm time (%) = 0.00112319 (0.806715) Outpt time (%) = 0.000859976 (0.617666) Other time (%) = 0.015213 (10.9265) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1888 0 -2213.3374 -2213.3374 -3383.3937 3383.3937 1889 1.4083834e-08 -2213.3374 -2213.3374 -3383.3937 3383.3937 Loop time of 0.00216413 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737599 -2213.33737599 -2213.33737599 Force two-norm initial, final = 0.00464768 0.00464768 Force max component initial, final = 0.000570748 0.000570748 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (85.4908) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.749146) Outpt time (%) = 0 (0) Other time (%) = 0.000297785 (13.7601) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.2882 -2213.2882 -3395.5242 3395.5242 1810 0.016168601 -2213.2891 -2213.2891 -3394.7048 3394.7048 1820 0.16263152 -2213.297 -2213.297 -3388.0778 3388.0778 1830 0.43493997 -2213.322 -2213.322 -3385.8481 3385.8481 1840 0.055282571 -2213.3312 -2213.3312 -3386.9723 3386.9723 1850 0.021086274 -2213.3323 -2213.3323 -3381.8708 3381.8708 1860 0.0024184997 -2213.3344 -2213.3344 -3385.6174 3385.6174 1870 0.0009253802 -2213.3347 -2213.3347 -3382.9241 3382.9241 1880 0.0092641356 -2213.3353 -2213.3353 -3383.8684 3383.8684 1890 0.032466369 -2213.337 -2213.337 -3381.5929 3381.5929 1900 0.0010810426 -2213.3372 -2213.3372 -3383.5312 3383.5312 1910 0.00016035014 -2213.3372 -2213.3372 -3383.4081 3383.4081 1920 0.0010286063 -2213.3373 -2213.3373 -3383.3397 3383.3397 1930 0.00053386217 -2213.3374 -2213.3374 -3383.0468 3383.0468 1938 0.00028508072 -2213.3374 -2213.3374 -3383.3939 3383.3939 Loop time of 0.139102 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28819682 -2213.33737452 -2213.33737591 Force two-norm initial, final = 0.451708 0.00467943 Force max component initial, final = 0.0699404 0.000568692 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.12211 (87.7844) Neigh time (%) = 0 (0) Comm time (%) = 0.00110364 (0.793403) Outpt time (%) = 0.000868797 (0.624576) Other time (%) = 0.0150197 (10.7976) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1938 0 -2213.3374 -2213.3374 -3383.3959 3383.3959 1939 1.4276951e-08 -2213.3374 -2213.3374 -3383.3959 3383.3959 Loop time of 0.00214505 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737591 -2213.33737591 -2213.33737591 Force two-norm initial, final = 0.00467943 0.00467943 Force max component initial, final = 0.000568692 0.000568692 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (86.251) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.778037) Outpt time (%) = 0 (0) Other time (%) = 0.000278234 (12.971) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.2899 -2213.2899 -3395.9363 3395.9363 1860 0.017143071 -2213.2909 -2213.2909 -3395.0207 3395.0207 1870 0.16063817 -2213.2987 -2213.2987 -3387.7038 3387.7038 1880 0.42459925 -2213.3229 -2213.3229 -3386.4452 3386.4452 1890 0.058745744 -2213.3315 -2213.3315 -3387.4914 3387.4914 1900 0.021025219 -2213.3327 -2213.3327 -3381.5502 3381.5502 1910 0.0035099958 -2213.3346 -2213.3346 -3385.8758 3385.8758 1920 0.0010406631 -2213.335 -2213.335 -3382.8002 3382.8002 1930 0.0085156127 -2213.3355 -2213.3355 -3383.927 3383.927 1940 0.032510616 -2213.337 -2213.337 -3381.7368 3381.7368 1950 0.0015812365 -2213.3372 -2213.3372 -3383.5168 3383.5168 1960 0.00018830572 -2213.3372 -2213.3372 -3383.409 3383.409 1970 0.00099538246 -2213.3373 -2213.3373 -3383.3487 3383.3487 1980 0.00096989848 -2213.3373 -2213.3373 -3383.0774 3383.0774 1988 0.00052399385 -2213.3374 -2213.3374 -3383.3915 3383.3915 Loop time of 0.139008 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28985687 -2213.33737411 -2213.33737642 Force two-norm initial, final = 0.466853 0.00460811 Force max component initial, final = 0.0685554 0.000552493 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.121938 (87.7203) Neigh time (%) = 0 (0) Comm time (%) = 0.00113368 (0.81555) Outpt time (%) = 0.000859022 (0.617966) Other time (%) = 0.0150771 (10.8462) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1988 0 -2213.3374 -2213.3374 -3383.3951 3383.3951 1989 1.3845067e-08 -2213.3374 -2213.3374 -3383.3951 3383.3951 Loop time of 0.00217986 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737642 -2213.33737642 -2213.33737642 Force two-norm initial, final = 0.00460811 0.00460811 Force max component initial, final = 0.000552493 0.000552493 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (84.8737) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.787488) Outpt time (%) = 0 (0) Other time (%) = 0.000312567 (14.3388) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1900 0 -2213.2887 -2213.2887 -3394.8138 3394.8138 1910 0.016298082 -2213.2897 -2213.2897 -3394.0656 3394.0656 1920 0.15768181 -2213.2973 -2213.2973 -3387.9985 3387.9985 1930 0.44883133 -2213.3235 -2213.3235 -3386.1246 3386.1246 1940 0.045387276 -2213.3318 -2213.3318 -3386.6586 3386.6586 1950 0.022872777 -2213.3331 -2213.3331 -3381.8144 3381.8144 1960 0.0048130855 -2213.3349 -2213.3349 -3385.3605 3385.3605 1970 0.0012392897 -2213.3353 -2213.3353 -3382.9047 3382.9047 1980 0.007681868 -2213.3357 -2213.3357 -3383.8091 3383.8091 1990 0.033033827 -2213.3369 -2213.3369 -3382.5727 3382.5727 2000 0.0024691094 -2213.3372 -2213.3372 -3383.4779 3383.4779 2010 0.00024732355 -2213.3372 -2213.3372 -3383.4362 3383.4362 2020 0.00096047687 -2213.3373 -2213.3373 -3383.3959 3383.3959 2030 0.0018296656 -2213.3373 -2213.3373 -3383.2618 3383.2618 2038 0.0010109569 -2213.3374 -2213.3374 -3383.3807 3383.3807 Loop time of 0.139914 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28870784 -2213.33737273 -2213.33737687 Force two-norm initial, final = 0.455311 0.00465063 Force max component initial, final = 0.0524376 0.00060193 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.122099 (87.2674) Neigh time (%) = 0 (0) Comm time (%) = 0.00111127 (0.794253) Outpt time (%) = 0.000863791 (0.617373) Other time (%) = 0.0158396 (11.321) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2038 0 -2213.3374 -2213.3374 -3383.3877 3383.3877 2039 1.4101703e-08 -2213.3374 -2213.3374 -3383.3877 3383.3877 Loop time of 0.0021801 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737687 -2213.33737687 -2213.33737687 Force two-norm initial, final = 0.00465063 0.00465063 Force max component initial, final = 0.00060193 0.00060193 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186324 (85.4659) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.776465) Outpt time (%) = 0 (0) Other time (%) = 0.000299931 (13.7577) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.3083 -2213.3083 -3384.0321 3384.0321 1710 0.013963578 -2213.3091 -2213.3091 -3384.093 3384.093 1720 0.094960087 -2213.314 -2213.314 -3384.1906 3384.1906 1730 0.22251373 -2213.3261 -2213.3261 -3382.2701 3382.2701 1740 0.087260634 -2213.3332 -2213.3332 -3382.9386 3382.9386 1750 0.00010071674 -2213.3343 -2213.3343 -3384.0134 3384.0134 1760 0.0088343893 -2213.3348 -2213.3348 -3383.9526 3383.9526 1770 0.028906775 -2213.3364 -2213.3364 -3383.3615 3383.3615 1780 0.0045284386 -2213.3369 -2213.3369 -3383.061 3383.061 1790 0.0023342069 -2213.337 -2213.337 -3383.3515 3383.3515 1800 0.0020425475 -2213.3373 -2213.3373 -3383.3114 3383.3114 1810 0.00012313568 -2213.3373 -2213.3373 -3383.3545 3383.3545 1820 0.00083569809 -2213.3373 -2213.3373 -3383.3684 3383.3684 1823 0.0012669047 -2213.3373 -2213.3373 -3383.3808 3383.3808 Loop time of 0.12382 on 1 procs for 123 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3082919 -2213.33732928 -2213.33733914 Force two-norm initial, final = 0.426782 0.00846375 Force max component initial, final = 0.0429426 0.000536352 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 123 123 Pair time (%) = 0.108517 (87.6412) Neigh time (%) = 0 (0) Comm time (%) = 0.000967264 (0.781187) Outpt time (%) = 0.000810146 (0.654295) Other time (%) = 0.0135252 (10.9233) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1823 0 -2213.3373 -2213.3373 -3383.3895 3383.3895 1824 4.6706229e-08 -2213.3373 -2213.3373 -3383.3895 3383.3895 Loop time of 0.0021081 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733914 -2213.33733914 -2213.33733914 Force two-norm initial, final = 0.00846375 0.00846375 Force max component initial, final = 0.000536352 0.000536352 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (87.7064) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.859534) Outpt time (%) = 0 (0) Other time (%) = 0.000241041 (11.4341) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1750 0 -2213.3267 -2213.3267 -3384.6823 3384.6823 1760 0.0047815097 -2213.327 -2213.327 -3384.6341 3384.6341 1770 0.029499113 -2213.3285 -2213.3285 -3384.2272 3384.2272 1780 0.0002690746 -2213.332 -2213.332 -3384.3034 3384.3034 1790 0.00024693746 -2213.3328 -2213.3328 -3383.8802 3383.8802 1800 0.0097130001 -2213.3333 -2213.3333 -3383.9259 3383.9259 1810 0.0011306039 -2213.3345 -2213.3345 -3383.7064 3383.7064 1820 0.014792724 -2213.3354 -2213.3354 -3383.5174 3383.5174 1830 9.4028209e-05 -2213.3357 -2213.3357 -3383.6191 3383.6191 1840 0.0027627054 -2213.3359 -2213.3359 -3383.5567 3383.5567 1850 0.018776782 -2213.3369 -2213.3369 -3383.3062 3383.3062 1860 3.296371e-05 -2213.3373 -2213.3373 -3383.3823 3383.3823 1870 0.00042768055 -2213.3373 -2213.3373 -3383.395 3383.395 1880 1.566541e-06 -2213.3373 -2213.3373 -3383.3965 3383.3965 1890 7.66226e-05 -2213.3373 -2213.3373 -3383.3938 3383.3938 1900 0.00056892944 -2213.3374 -2213.3374 -3383.3917 3383.3917 1903 0.00076325889 -2213.3374 -2213.3374 -3383.3903 3383.3903 Loop time of 0.152962 on 1 procs for 153 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32670815 -2213.33737431 -2213.33737963 Force two-norm initial, final = 0.250461 0.004418 Force max component initial, final = 0.0268979 0.000344123 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 153 153 Pair time (%) = 0.134904 (88.1947) Neigh time (%) = 0 (0) Comm time (%) = 0.00122476 (0.800693) Outpt time (%) = 0.000998259 (0.652619) Other time (%) = 0.0158346 (10.352) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1903 0 -2213.3374 -2213.3374 -3383.3955 3383.3955 1904 1.272624e-08 -2213.3374 -2213.3374 -3383.3955 3383.3955 Loop time of 0.00213504 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737963 -2213.33737963 -2213.33737963 Force two-norm initial, final = 0.004418 0.004418 Force max component initial, final = 0.000344123 0.000344123 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184584 (86.4545) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.714685) Outpt time (%) = 0 (0) Other time (%) = 0.000273943 (12.8308) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.2525 -2213.2525 -3392.9731 3392.9731 1810 0.04012873 -2213.2548 -2213.2548 -3392.8418 3392.8418 1820 0.26060709 -2213.2681 -2213.2681 -3390.9917 3390.9917 1830 0.0018542266 -2213.2959 -2213.2959 -3387.4161 3387.4161 1840 0.0015825886 -2213.3015 -2213.3015 -3388.0388 3388.0388 1850 0.07479077 -2213.3053 -2213.3053 -3386.8875 3386.8875 1860 0.007433788 -2213.3148 -2213.3148 -3386.1873 3386.1873 1870 0.11633727 -2213.3221 -2213.3221 -3384.4724 3384.4724 1880 0.0003904346 -2213.3248 -2213.3248 -3384.8651 3384.8651 1890 0.022596406 -2213.326 -2213.326 -3384.6219 3384.6219 1900 0.11331994 -2213.3331 -2213.3331 -3383.1101 3383.1101 1910 0.00063277789 -2213.3335 -2213.3335 -3383.784 3383.784 1920 0.011853547 -2213.3342 -2213.3342 -3383.6684 3383.6684 1930 0.00057884118 -2213.3361 -2213.3361 -3383.5406 3383.5406 1940 0.00094924321 -2213.3362 -2213.3362 -3383.5067 3383.5067 1950 0.0079965979 -2213.3367 -2213.3367 -3383.3914 3383.3914 1960 0.00053571345 -2213.3373 -2213.3373 -3383.4274 3383.4274 1966 0.00017303503 -2213.3373 -2213.3373 -3383.3997 3383.3997 Loop time of 0.164512 on 1 procs for 166 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25247143 -2213.33732764 -2213.33732898 Force two-norm initial, final = 0.721694 0.00839746 Force max component initial, final = 0.0962499 0.000577304 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.146635 (89.1331) Neigh time (%) = 0 (0) Comm time (%) = 0.00131702 (0.800565) Outpt time (%) = 0.00106168 (0.64535) Other time (%) = 0.0154986 (9.42098) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1966 0 -2213.3373 -2213.3373 -3383.4009 3383.4009 1967 4.5977419e-08 -2213.3373 -2213.3373 -3383.4009 3383.4009 Loop time of 0.00210905 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732898 -2213.33732898 -2213.33732898 Force two-norm initial, final = 0.00839746 0.00839746 Force max component initial, final = 0.000577304 0.000577304 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (87.7233) Neigh time (%) = 0 (0) Comm time (%) = 1.43051e-05 (0.678273) Outpt time (%) = 0 (0) Other time (%) = 0.000244617 (11.5985) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1750 0 -2213.2325 -2213.2325 -3383.8766 3383.8766 1760 0.025204823 -2213.234 -2213.234 -3384.698 3384.698 1770 0.22052009 -2213.2458 -2213.2458 -3390.9118 3390.9118 1780 0.74249429 -2213.2854 -2213.2854 -3382.9405 3382.9405 1790 0.052361354 -2213.3306 -2213.3306 -3382.4948 3382.4948 1800 0.024449513 -2213.332 -2213.332 -3382.9719 3382.9719 1810 0.00040642758 -2213.3354 -2213.3354 -3383.0359 3383.0359 1820 0.0012928518 -2213.3358 -2213.3358 -3383.7297 3383.7297 1830 0.0089163394 -2213.3363 -2213.3363 -3383.5515 3383.5515 1840 0.002685045 -2213.3364 -2213.3364 -3383.3509 3383.3509 1850 0.00085478901 -2213.3367 -2213.3367 -3383.4599 3383.4599 1860 0.00010393806 -2213.3369 -2213.3369 -3383.5075 3383.5075 1870 0.0001029537 -2213.337 -2213.337 -3383.4269 3383.4269 1880 0.0013158087 -2213.3371 -2213.3371 -3383.4224 3383.4224 1889 0.0045710286 -2213.3373 -2213.3373 -3383.3892 3383.3892 Loop time of 0.137774 on 1 procs for 139 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.23252773 -2213.33729126 -2213.33732728 Force two-norm initial, final = 0.565454 0.00890102 Force max component initial, final = 0.0740596 0.000657619 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 139 139 Pair time (%) = 0.122485 (88.9026) Neigh time (%) = 0 (0) Comm time (%) = 0.00111914 (0.812299) Outpt time (%) = 0.000871181 (0.632327) Other time (%) = 0.013299 (9.65276) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1889 0 -2213.3373 -2213.3373 -3383.4206 3383.4206 1890 5.165696e-08 -2213.3373 -2213.3373 -3383.4206 3383.4206 1892 4.648822e-07 -2213.3373 -2213.3373 -3383.4204 3383.4204 Loop time of 0.00423717 on 1 procs for 3 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732728 -2213.33732729 -2213.3373273 Force two-norm initial, final = 0.00890102 0.00889509 Force max component initial, final = 0.000657619 0.000656958 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 3 3 Pair time (%) = 0.00370002 (87.3228) Neigh time (%) = 0 (0) Comm time (%) = 3.12328e-05 (0.737115) Outpt time (%) = 7.48634e-05 (1.76682) Other time (%) = 0.000431061 (10.1733) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.2985 -2213.2985 -3389.6701 3389.6701 1810 0.0074150489 -2213.299 -2213.299 -3389.4474 3389.4474 1820 0.06836189 -2213.3023 -2213.3023 -3387.4492 3387.4492 1830 0.00055606797 -2213.3159 -2213.3159 -3386.6283 3386.6283 1840 0.00067231252 -2213.3182 -2213.3182 -3385.4571 3385.4571 1850 0.039290753 -2213.3201 -2213.3201 -3385.5269 3385.5269 1860 0.0037498299 -2213.3252 -2213.3252 -3384.8189 3384.8189 1870 0.061394691 -2213.3291 -2213.3291 -3383.9445 3383.9445 1880 0.00020450381 -2213.3305 -2213.3305 -3384.2589 3384.2589 1890 0.01264336 -2213.3312 -2213.3312 -3384.0234 3384.0234 1900 0.057865332 -2213.335 -2213.335 -3383.2455 3383.2455 1910 0.00034063946 -2213.3352 -2213.3352 -3383.6266 3383.6266 1920 0.0065437977 -2213.3356 -2213.3356 -3383.5368 3383.5368 1930 0.00029901117 -2213.3367 -2213.3367 -3383.4668 3383.4668 1940 0.00053254013 -2213.3367 -2213.3367 -3383.4579 3383.4579 1950 0.0044267384 -2213.337 -2213.337 -3383.3992 3383.3992 1960 0.00027365754 -2213.3373 -2213.3373 -3383.4063 3383.4063 1966 9.8581973e-05 -2213.3374 -2213.3374 -3383.3967 3383.3967 Loop time of 0.165069 on 1 procs for 166 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29853767 -2213.33735267 -2213.3373534 Force two-norm initial, final = 0.307551 0.0065144 Force max component initial, final = 0.0277577 0.000448096 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.146521 (88.7636) Neigh time (%) = 0 (0) Comm time (%) = 0.00132918 (0.805229) Outpt time (%) = 0.00106645 (0.646061) Other time (%) = 0.0161521 (9.78508) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1966 0 -2213.3374 -2213.3374 -3383.3974 3383.3974 1967 2.7669287e-08 -2213.3374 -2213.3374 -3383.3974 3383.3974 Loop time of 0.00226402 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373534 -2213.3373534 -2213.3373534 Force two-norm initial, final = 0.0065144 0.0065144 Force max component initial, final = 0.000448096 0.000448096 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198698 (87.7633) Neigh time (%) = 0 (0) Comm time (%) = 1.85966e-05 (0.821398) Outpt time (%) = 0 (0) Other time (%) = 0.000258446 (11.4153) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.2668 -2213.2668 -3393.1148 3393.1148 1860 0.017552406 -2213.2678 -2213.2678 -3392.8007 3392.8007 1870 0.1613475 -2213.2756 -2213.2756 -3389.769 3389.769 1880 0.0010324234 -2213.2989 -2213.2989 -3387.4415 3387.4415 1890 0.0010752243 -2213.3035 -2213.3035 -3386.8449 3386.8449 1900 0.068762718 -2213.3069 -2213.3069 -3386.5285 3386.5285 1910 0.006383362 -2213.3158 -2213.3158 -3385.805 3385.805 1920 0.10904557 -2213.3227 -2213.3227 -3384.2238 3384.2238 1930 0.00035441487 -2213.3253 -2213.3253 -3384.7308 3384.7308 1940 0.021837278 -2213.3265 -2213.3265 -3384.4376 3384.4376 1950 0.10633696 -2213.3333 -2213.3333 -3383.1016 3383.1016 1960 0.00058199171 -2213.3336 -2213.3336 -3383.7799 3383.7799 1970 0.011393868 -2213.3343 -2213.3343 -3383.6376 3383.6376 1980 0.00046398435 -2213.3362 -2213.3362 -3383.5206 3383.5206 1990 0.00090512449 -2213.3363 -2213.3363 -3383.5017 3383.5017 2000 0.0076502709 -2213.3368 -2213.3368 -3383.4006 3383.4006 2010 0.00019786742 -2213.3373 -2213.3373 -3383.4166 3383.4166 2016 6.9089059e-05 -2213.3373 -2213.3373 -3383.3988 3383.3988 Loop time of 0.164596 on 1 procs for 166 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26677965 -2213.33732955 -2213.33733051 Force two-norm initial, final = 0.471218 0.00826064 Force max component initial, final = 0.0964745 0.000531235 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.146545 (89.0334) Neigh time (%) = 0 (0) Comm time (%) = 0.00133491 (0.811019) Outpt time (%) = 0.0010705 (0.65038) Other time (%) = 0.0156453 (9.50525) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2016 0 -2213.3373 -2213.3373 -3383.3993 3383.3993 2017 4.4491463e-08 -2213.3373 -2213.3373 -3383.3993 3383.3993 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 = -2213.33733051 -2213.33733051 -2213.33733051 Force two-norm initial, final = 0.00826064 0.00826064 Force max component initial, final = 0.000531235 0.000531235 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (89.597) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.831313) Outpt time (%) = 0 (0) Other time (%) = 0.000197649 (9.57164) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.3045 -2213.3045 -3397.6576 3397.6576 1810 0.01240184 -2213.3053 -2213.3053 -3395.9868 3395.9868 1820 0.097623332 -2213.3106 -2213.3106 -3383.5387 3383.5387 1830 0.31549316 -2213.3275 -2213.3275 -3389.3029 3389.3029 1840 0.13923905 -2213.3332 -2213.3332 -3390.0499 3390.0499 1850 0.023912489 -2213.3348 -2213.3348 -3391.4 3391.4 1860 0.012577399 -2213.3367 -2213.3367 -3376.9672 3376.9672 1870 0.0030078096 -2213.3369 -2213.3369 -3386.2586 3386.2586 1880 0.0060066595 -2213.3372 -2213.3372 -3384.3934 3384.3934 1890 0.0032733884 -2213.3373 -2213.3373 -3384.68 3384.68 1900 0.00026579635 -2213.3373 -2213.3373 -3382.8367 3382.8367 1910 0.0015902034 -2213.3374 -2213.3374 -3383.1811 3383.1811 1920 0.0001485116 -2213.3374 -2213.3374 -3384.0295 3384.0295 1930 0.00025588353 -2213.3374 -2213.3374 -3382.9138 3382.9138 1940 6.8929502e-05 -2213.3374 -2213.3374 -3383.2115 3383.2115 1945 0.00019861972 -2213.3374 -2213.3374 -3383.3585 3383.3585 Loop time of 0.143782 on 1 procs for 145 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3045479 -2213.33737949 -2213.33738113 Force two-norm initial, final = 0.399574 0.00415008 Force max component initial, final = 0.0884404 0.000251327 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 145 145 Pair time (%) = 0.127975 (89.006) Neigh time (%) = 0 (0) Comm time (%) = 0.00116253 (0.808535) Outpt time (%) = 0.000937223 (0.651836) Other time (%) = 0.0137076 (9.53362) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1945 0 -2213.3374 -2213.3374 -3383.3598 3383.3598 1946 1.1229531e-08 -2213.3374 -2213.3374 -3383.3598 3383.3598 Loop time of 0.00209117 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738113 -2213.33738113 -2213.33738113 Force two-norm initial, final = 0.00415008 0.00415008 Force max component initial, final = 0.000251327 0.000251327 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184608 (88.2796) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.820887) Outpt time (%) = 0 (0) Other time (%) = 0.000227928 (10.8996) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.3051 -2213.3051 -3384.6926 3384.6926 1860 0.019927417 -2213.3063 -2213.3063 -3384.5806 3384.5806 1870 0.15059392 -2213.3138 -2213.3138 -3383.6752 3383.6752 1880 0.000510399 -2213.3254 -2213.3254 -3385.0654 3385.0654 1890 0.00037462273 -2213.3273 -2213.3273 -3383.7563 3383.7563 1900 0.021018752 -2213.3283 -2213.3283 -3384.2147 3384.2147 1910 0.0020010964 -2213.331 -2213.331 -3383.845 3383.845 1920 0.032398142 -2213.333 -2213.333 -3383.4731 3383.4731 1930 2.1704658e-05 -2213.3357 -2213.3357 -3383.5402 3383.5402 1940 0.0034460325 -2213.3359 -2213.3359 -3383.5442 3383.5442 1950 0.018522153 -2213.3371 -2213.3371 -3383.3426 3383.3426 1960 0.00012355424 -2213.3373 -2213.3373 -3383.4334 3383.4334 1970 3.2225334e-05 -2213.3373 -2213.3373 -3383.3872 3383.3872 1980 8.1215261e-06 -2213.3373 -2213.3373 -3383.4048 3383.4048 1990 0.00012586437 -2213.3373 -2213.3373 -3383.391 3383.391 2000 1.204594e-06 -2213.3374 -2213.3374 -3383.3915 3383.3915 2010 5.4448922e-06 -2213.3374 -2213.3374 -3383.3984 3383.3984 2013 1.5105294e-05 -2213.3374 -2213.3374 -3383.3968 3383.3968 Loop time of 0.160246 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30513353 -2213.33737038 -2213.33737059 Force two-norm initial, final = 0.504994 0.00463989 Force max component initial, final = 0.0723078 0.000293799 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.14381 (89.7431) Neigh time (%) = 0 (0) Comm time (%) = 0.00128865 (0.804171) Outpt time (%) = 0.00109506 (0.683359) Other time (%) = 0.0140526 (8.7694) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2013 0 -2213.3374 -2213.3374 -3383.3969 3383.3969 2014 1.4036669e-08 -2213.3374 -2213.3374 -3383.3969 3383.3969 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 = -2213.33737059 -2213.33737059 -2213.33737059 Force two-norm initial, final = 0.00463989 0.00463989 Force max component initial, final = 0.000293799 0.000293799 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (89.5393) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.762037) Outpt time (%) = 0 (0) Other time (%) = 0.000200272 (9.69865) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1900 0 -2213.2658 -2213.2658 -3391.3565 3391.3565 1910 0.0095034542 -2213.2664 -2213.2664 -3391.2067 3391.2067 1920 0.12073576 -2213.272 -2213.272 -3389.6525 3389.6525 1930 0.00071503779 -2213.2975 -2213.2975 -3388.6701 3388.6701 1940 0.0010517142 -2213.3016 -2213.3016 -3387.5877 3387.5877 1950 0.070362432 -2213.3051 -2213.3051 -3386.8026 3386.8026 1960 0.0040571733 -2213.3168 -2213.3168 -3385.4803 3385.4803 1970 0.0045754014 -2213.3183 -2213.3183 -3385.4718 3385.4718 1980 0.064140939 -2213.3221 -2213.3221 -3384.6549 3384.6549 1990 0.20415121 -2213.3361 -2213.3361 -3382.0288 3382.0288 2000 0.00091939075 -2213.3362 -2213.3362 -3383.4294 3383.4294 2010 0.0005722187 -2213.3363 -2213.3363 -3383.4374 3383.4374 2020 0.005977161 -2213.3366 -2213.3366 -3383.4107 3383.4107 2030 7.1024211e-05 -2213.3373 -2213.3373 -3383.4139 3383.4139 2040 0.00016414029 -2213.3373 -2213.3373 -3383.4144 3383.4144 2050 0.0012006038 -2213.3374 -2213.3374 -3383.391 3383.391 2060 3.7650524e-06 -2213.3374 -2213.3374 -3383.3875 3383.3875 2070 1.637549e-06 -2213.3374 -2213.3374 -3383.3881 3383.3881 2074 5.8400518e-06 -2213.3374 -2213.3374 -3383.3888 3383.3888 Loop time of 0.171851 on 1 procs for 174 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26583145 -2213.3373838 -2213.33738387 Force two-norm initial, final = 0.342059 0.00247708 Force max component initial, final = 0.0408205 0.000166626 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.154495 (89.9003) Neigh time (%) = 0 (0) Comm time (%) = 0.00140834 (0.819512) Outpt time (%) = 0.00114322 (0.665238) Other time (%) = 0.0148048 (8.61493) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2074 0 -2213.3374 -2213.3374 -3383.3889 3383.3889 2075 4.0006204e-09 -2213.3374 -2213.3374 -3383.3889 3383.3889 Loop time of 0.00212312 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738387 -2213.33738387 -2213.33738387 Force two-norm initial, final = 0.00247708 0.00247708 Force max component initial, final = 0.000166626 0.000166626 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018487 (87.0747) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.763616) Outpt time (%) = 0 (0) Other time (%) = 0.000258207 (12.1617) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1850 0 -2213.2261 -2213.2261 -3403.6123 3403.6123 1860 0.019648474 -2213.2273 -2213.2273 -3401.8829 3401.8829 1870 0.1989657 -2213.2371 -2213.2371 -3388.3504 3388.3504 1880 0.84232444 -2213.2841 -2213.2841 -3389.3362 3389.3362 1890 0.17206148 -2213.3304 -2213.3304 -3389.2989 3389.2989 1900 0.00014896141 -2213.3319 -2213.3319 -3389.5524 3389.5524 1910 0.014808536 -2213.3328 -2213.3328 -3383.084 3383.084 1920 0.0501331 -2213.3357 -2213.3357 -3386.5783 3386.5783 1930 0.0041487287 -2213.3364 -2213.3364 -3384.0796 3384.0796 1940 5.4917465e-06 -2213.3367 -2213.3367 -3383.7474 3383.7474 1950 0.00094691365 -2213.3367 -2213.3367 -3383.3894 3383.3894 1960 0.0055158502 -2213.3371 -2213.3371 -3383.4847 3383.4847 1970 1.0289209e-05 -2213.3373 -2213.3373 -3382.7849 3382.7849 1975 0.00024069512 -2213.3374 -2213.3374 -3383.3979 3383.3979 Loop time of 0.127987 on 1 procs for 125 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.22614685 -2213.33734926 -2213.33735061 Force two-norm initial, final = 0.498302 0.00686804 Force max component initial, final = 0.055075 0.000486249 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 125 125 Pair time (%) = 0.110608 (86.4214) Neigh time (%) = 0 (0) Comm time (%) = 0.000992298 (0.775312) Outpt time (%) = 0.000801563 (0.626285) Other time (%) = 0.0155849 (12.177) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1975 0 -2213.3374 -2213.3374 -3383.3996 3383.3996 1976 3.0754904e-08 -2213.3374 -2213.3374 -3383.3996 3383.3996 Loop time of 0.00218201 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735061 -2213.33735061 -2213.33735061 Force two-norm initial, final = 0.00686804 0.00686804 Force max component initial, final = 0.000486249 0.000486249 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018518 (84.8667) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.73208) Outpt time (%) = 0 (0) Other time (%) = 0.000314236 (14.4012) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1900 0 -2213.2799 -2213.2799 -3383.5967 3383.5967 1910 0.089626404 -2213.2851 -2213.2851 -3384.0489 3384.0489 1920 0.33066323 -2213.3039 -2213.3039 -3386.6992 3386.6992 1930 0.0045924191 -2213.3173 -2213.3173 -3384.0985 3384.0985 1940 0.0031678965 -2213.3234 -2213.3234 -3386.8539 3386.8539 1950 0.035477892 -2213.3256 -2213.3256 -3385.1171 3385.1171 1960 0.13932849 -2213.3331 -2213.3331 -3381.8666 3381.8666 1970 0.0034568294 -2213.334 -2213.334 -3383.9591 3383.9591 1980 0.012989332 -2213.3347 -2213.3347 -3383.3826 3383.3826 1990 0.0063437295 -2213.3354 -2213.3354 -3383.5383 3383.5383 2000 0.0027281146 -2213.3356 -2213.3356 -3383.606 3383.606 2010 0.011071097 -2213.3362 -2213.3362 -3383.2805 3383.2805 2020 4.590103e-05 -2213.3368 -2213.3368 -3383.3069 3383.3069 2030 1.9363198e-05 -2213.3369 -2213.3369 -3383.4824 3383.4824 2040 0.00060513081 -2213.3369 -2213.3369 -3383.4225 3383.4225 2050 0.0036319668 -2213.3371 -2213.3371 -3383.4186 3383.4186 2060 1.6181813e-05 -2213.3373 -2213.3373 -3383.3528 3383.3528 2065 0.0003602307 -2213.3373 -2213.3373 -3383.3899 3383.3899 Loop time of 0.167044 on 1 procs for 165 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27987897 -2213.3373475 -2213.33734994 Force two-norm initial, final = 1.09634 0.00731226 Force max component initial, final = 0.107427 0.000555597 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 165 165 Pair time (%) = 0.14555 (87.1331) Neigh time (%) = 0 (0) Comm time (%) = 0.00132775 (0.794853) Outpt time (%) = 0.00106931 (0.640135) Other time (%) = 0.0190964 (11.4319) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2065 0 -2213.3373 -2213.3373 -3383.3924 3383.3924 2066 3.4862007e-08 -2213.3373 -2213.3373 -3383.3924 3383.3924 Loop time of 0.002244 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734994 -2213.33734994 -2213.33734994 Force two-norm initial, final = 0.00731226 0.00731226 Force max component initial, final = 0.000555597 0.000555597 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (82.4904) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.743731) Outpt time (%) = 0 (0) Other time (%) = 0.000376225 (16.7658) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.2898 -2213.2898 -3389.0679 3389.0679 1960 0.015740541 -2213.2908 -2213.2908 -3388.929 3388.929 1970 0.14412877 -2213.2977 -2213.2977 -3387.5428 3387.5428 1980 0.00059745705 -2213.3138 -2213.3138 -3386.6081 3386.6081 1990 0.0012533432 -2213.3161 -2213.3161 -3386.3579 3386.3579 2000 0.042131022 -2213.3184 -2213.3184 -3385.8057 3385.8057 2010 0.19619317 -2213.3307 -2213.3307 -3382.6501 3382.6501 2020 0.00093637018 -2213.3312 -2213.3312 -3383.9804 3383.9804 2030 0.019056479 -2213.3324 -2213.3324 -3383.8253 3383.8253 2040 0.0048699874 -2213.3336 -2213.3336 -3383.7934 3383.7934 2050 0.00050392356 -2213.3348 -2213.3348 -3383.6443 3383.6443 2060 0.012045487 -2213.3356 -2213.3356 -3383.5095 3383.5095 2070 8.9288041e-06 -2213.3367 -2213.3367 -3383.4637 3383.4637 2080 0.0014557993 -2213.3368 -2213.3368 -3383.4486 3383.4486 2090 0.0070111422 -2213.3373 -2213.3373 -3383.3623 3383.3623 2100 2.2249991e-05 -2213.3374 -2213.3374 -3383.4019 3383.4019 2102 4.7788799e-05 -2213.3374 -2213.3374 -3383.3979 3383.3979 Loop time of 0.153871 on 1 procs for 152 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28983178 -2213.33735952 -2213.33736003 Force two-norm initial, final = 0.445414 0.00583668 Force max component initial, final = 0.105566 0.00038073 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 152 152 Pair time (%) = 0.134573 (87.4586) Neigh time (%) = 0 (0) Comm time (%) = 0.00121737 (0.791159) Outpt time (%) = 0.000993013 (0.645354) Other time (%) = 0.0170872 (11.1049) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2102 0 -2213.3374 -2213.3374 -3383.3982 3383.3982 2103 2.2211645e-08 -2213.3374 -2213.3374 -3383.3982 3383.3982 Loop time of 0.002069 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736003 -2213.33736003 -2213.33736003 Force two-norm initial, final = 0.00583668 0.00583668 Force max component initial, final = 0.00038073 0.00038073 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.4676) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.829684) Outpt time (%) = 0 (0) Other time (%) = 0.000200748 (9.7027) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.2064 -2213.2064 -3397.8372 3397.8372 2010 0.058694105 -2213.2099 -2213.2099 -3397.3947 3397.3947 2020 0.44626482 -2213.232 -2213.232 -3392.9321 3392.9321 2030 0.0020669477 -2213.2725 -2213.2725 -3388.6743 3388.6743 2040 0.0019009868 -2213.2811 -2213.2811 -3389.2851 3389.2851 2050 0.11545229 -2213.2868 -2213.2868 -3388.2087 3388.2087 2060 0.011280905 -2213.3016 -2213.3016 -3387.3489 3387.3489 2070 0.1828866 -2213.3132 -2213.3132 -3384.6914 3384.6914 2080 0.00061742364 -2213.3175 -2213.3175 -3385.5052 3385.5052 2090 0.035713059 -2213.3194 -2213.3194 -3385.0821 3385.0821 2100 0.17997475 -2213.3307 -2213.3307 -3382.8772 3382.8772 2110 0.00076084203 -2213.3365 -2213.3365 -3383.4444 3383.4444 2120 0.00026712017 -2213.3367 -2213.3367 -3383.4176 3383.4176 2130 4.7491652e-05 -2213.3367 -2213.3367 -3383.4451 3383.4451 2140 0.0010166969 -2213.3368 -2213.3368 -3383.4228 3383.4228 2150 0.0052962841 -2213.3371 -2213.3371 -3383.3775 3383.3775 2160 6.7349958e-06 -2213.3373 -2213.3373 -3383.3972 3383.3972 2170 0.00020707206 -2213.3373 -2213.3373 -3383.4096 3383.4096 2171 0.00026470174 -2213.3373 -2213.3373 -3383.4038 3383.4038 Loop time of 0.166176 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.20642055 -2213.33733513 -2213.33733853 Force two-norm initial, final = 0.866312 0.00767077 Force max component initial, final = 0.239549 0.000486095 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.151045 (90.8943) Neigh time (%) = 0 (0) Comm time (%) = 0.00136709 (0.822677) Outpt time (%) = 0.00114083 (0.686521) Other time (%) = 0.0126235 (7.59649) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2171 0 -2213.3373 -2213.3373 -3383.4057 3383.4057 2172 3.8364289e-08 -2213.3373 -2213.3373 -3383.4057 3383.4057 Loop time of 0.00206709 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733853 -2213.33733853 -2213.33733853 Force two-norm initial, final = 0.00767077 0.00767077 Force max component initial, final = 0.000486095 0.000486095 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (89.4464) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.818916) Outpt time (%) = 0 (0) Other time (%) = 0.000201225 (9.73472) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2905 -2213.2905 -3385.4857 3385.4857 2060 0.024866517 -2213.292 -2213.292 -3385.8899 3385.8899 2070 0.12856367 -2213.2988 -2213.2988 -3388.6205 3388.6205 2080 0.0013701182 -2213.3148 -2213.3148 -3385.1444 3385.1444 2090 0.0016507598 -2213.3175 -2213.3175 -3386.9226 3386.9226 2100 0.039521767 -2213.3196 -2213.3196 -3385.497 3385.497 2110 0.1889995 -2213.3311 -2213.3311 -3382.4598 3382.4598 2120 0.001589989 -2213.3318 -2213.3318 -3384.1324 3384.1324 2130 0.017933497 -2213.3328 -2213.3328 -3383.6687 3383.6687 2140 0.0054005369 -2213.334 -2213.334 -3383.715 3383.715 2150 0.0027041465 -2213.3342 -2213.3342 -3383.7285 3383.7285 2160 0.020018239 -2213.3354 -2213.3354 -3383.423 3383.423 2170 0.0096512154 -2213.3372 -2213.3372 -3383.3192 3383.3192 2180 3.1747412e-05 -2213.3372 -2213.3372 -3383.3697 3383.3697 2190 1.0424964e-06 -2213.3372 -2213.3372 -3383.411 3383.411 2200 0.00013536919 -2213.3372 -2213.3372 -3383.4022 3383.4022 2210 0.00086381013 -2213.3373 -2213.3373 -3383.3997 3383.3997 2213 0.001340545 -2213.3373 -2213.3373 -3383.3883 3383.3883 Loop time of 0.158593 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29054963 -2213.33730753 -2213.33732022 Force two-norm initial, final = 0.574041 0.00992459 Force max component initial, final = 0.0611461 0.000760176 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.143828 (90.6901) Neigh time (%) = 0 (0) Comm time (%) = 0.00129509 (0.816612) Outpt time (%) = 0.00107074 (0.675148) Other time (%) = 0.012399 (7.8181) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2213 0 -2213.3373 -2213.3373 -3383.3975 3383.3975 2214 6.4220584e-08 -2213.3373 -2213.3373 -3383.3975 3383.3975 Loop time of 0.0020709 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732022 -2213.33732022 -2213.33732022 Force two-norm initial, final = 0.00992459 0.00992459 Force max component initial, final = 0.000760176 0.000760176 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186205 (89.9148) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.736818) Outpt time (%) = 0 (0) Other time (%) = 0.000193596 (9.34838) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.2565 -2213.2565 -3397.7829 3397.7829 1960 0.040506504 -2213.2588 -2213.2588 -3396.7688 3396.7688 1970 0.2394881 -2213.2706 -2213.2706 -3387.8722 3387.8722 1980 0.49345765 -2213.2966 -2213.2966 -3388.9512 3388.9512 1990 0.00029134554 -2213.3162 -2213.3162 -3385.5908 3385.5908 2000 0.043013354 -2213.3185 -2213.3185 -3385.1356 3385.1356 2010 0.16643959 -2213.3296 -2213.3296 -3382.2852 3382.2852 2020 0.030629454 -2213.3316 -2213.3316 -3384.4515 3384.4515 2030 0.00014376353 -2213.3331 -2213.3331 -3383.907 3383.907 2040 0.007819578 -2213.3335 -2213.3335 -3383.7675 3383.7675 2050 0.039034592 -2213.3359 -2213.3359 -3383.276 3383.276 2060 0.00036472922 -2213.336 -2213.336 -3383.5288 3383.5288 2070 0.0052435844 -2213.3363 -2213.3363 -3383.4697 3383.4697 2080 8.2945575e-05 -2213.3373 -2213.3373 -3383.4046 3383.4046 2090 0.0003900523 -2213.3373 -2213.3373 -3383.4014 3383.4014 2100 0.00010993361 -2213.3373 -2213.3373 -3383.4025 3383.4025 2110 3.1948586e-05 -2213.3373 -2213.3373 -3383.4027 3383.4027 2115 0.00012021529 -2213.3373 -2213.3373 -3383.4019 3383.4019 Loop time of 0.158331 on 1 procs for 165 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25647359 -2213.33730387 -2213.33730537 Force two-norm initial, final = 0.728571 0.00995536 Force max component initial, final = 0.0742721 0.000711315 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 165 165 Pair time (%) = 0.145114 (91.6526) Neigh time (%) = 0 (0) Comm time (%) = 0.00130916 (0.826848) Outpt time (%) = 0.00107002 (0.675814) Other time (%) = 0.0108373 (6.84473) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2115 0 -2213.3373 -2213.3373 -3383.4027 3383.4027 2116 6.4619318e-08 -2213.3373 -2213.3373 -3383.4027 3383.4027 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 = -2213.33730537 -2213.33730537 -2213.33730537 Force two-norm initial, final = 0.00995536 0.00995536 Force max component initial, final = 0.000711315 0.000711315 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185704 (89.9319) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.785129) Outpt time (%) = 0 (0) Other time (%) = 0.000191689 (9.28299) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.2902 -2213.2902 -3394.6352 3394.6352 2010 0.015879888 -2213.2912 -2213.2912 -3393.9014 3393.9014 2020 0.1607254 -2213.2987 -2213.2987 -3387.7948 3387.7948 2030 0.38894102 -2213.3223 -2213.3223 -3386.7467 3386.7467 2040 0.0001599369 -2213.3302 -2213.3302 -3385.5048 3385.5048 2050 0.020043738 -2213.3312 -2213.3312 -3383.5996 3383.5996 2060 0.0074668086 -2213.3316 -2213.3316 -3384.1366 3384.1366 2070 0.038310662 -2213.334 -2213.334 -3383.0872 3383.0872 2080 2.1325365e-05 -2213.3354 -2213.3354 -3383.5773 3383.5773 2090 0.0034632109 -2213.3356 -2213.3356 -3383.5753 3383.5753 2100 0.01667728 -2213.3367 -2213.3367 -3383.3739 3383.3739 2110 0.00017332052 -2213.3367 -2213.3367 -3383.4761 3383.4761 2120 0.0024815606 -2213.3369 -2213.3369 -3383.4354 3383.4354 2130 4.4808433e-05 -2213.3373 -2213.3373 -3383.4105 3383.4105 2140 0.00014486296 -2213.3373 -2213.3373 -3383.4004 3383.4004 2150 5.1941141e-05 -2213.3373 -2213.3373 -3383.3963 3383.3963 2159 1.2020954e-05 -2213.3373 -2213.3373 -3383.3961 3383.3961 Loop time of 0.153497 on 1 procs for 159 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2902385 -2213.33734299 -2213.33734318 Force two-norm initial, final = 0.448253 0.00743272 Force max component initial, final = 0.0537995 0.000485702 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 159 159 Pair time (%) = 0.140286 (91.3936) Neigh time (%) = 0 (0) Comm time (%) = 0.00128794 (0.839064) Outpt time (%) = 0.000988245 (0.64382) Other time (%) = 0.0109344 (7.1235) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2159 0 -2213.3373 -2213.3373 -3383.3962 3383.3962 2160 3.6020094e-08 -2213.3373 -2213.3373 -3383.3962 3383.3962 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 = -2213.33734318 -2213.33734318 -2213.33734318 Force two-norm initial, final = 0.00743272 0.00743272 Force max component initial, final = 0.000485702 0.000485702 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00197911 (90.0814) Neigh time (%) = 0 (0) Comm time (%) = 2.02656e-05 (0.922409) Outpt time (%) = 0 (0) Other time (%) = 0.000197649 (8.9962) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.29 -2213.29 -3393.8152 3393.8152 2060 0.016724271 -2213.291 -2213.291 -3393.1887 3393.1887 2070 0.17198414 -2213.299 -2213.299 -3387.9014 3387.9014 2080 0.39037249 -2213.3222 -2213.3222 -3385.8897 3385.8897 2090 0.00012587607 -2213.33 -2213.33 -3385.4703 3385.4703 2100 4.2610106e-05 -2213.3308 -2213.3308 -3384.0606 3384.0606 2110 0.0074153598 -2213.3312 -2213.3312 -3384.2263 3384.2263 2120 0.04245497 -2213.3338 -2213.3338 -3383.2847 3383.2847 2130 0.0016008389 -2213.3366 -2213.3366 -3383.3461 3383.3461 2140 0.0020527926 -2213.3367 -2213.3367 -3383.4347 3383.4347 2150 1.823619e-05 -2213.3372 -2213.3372 -3383.5102 3383.5102 2160 0.00012380578 -2213.3372 -2213.3372 -3383.4027 3383.4027 2170 0.0011065283 -2213.3373 -2213.3373 -3383.3736 3383.3736 2180 6.4486143e-06 -2213.3373 -2213.3373 -3383.4108 3383.4108 2190 0.00020049891 -2213.3373 -2213.3373 -3383.3988 3383.3988 2200 0.0011707899 -2213.3373 -2213.3373 -3383.3834 3383.3834 2210 2.3298176e-06 -2213.3374 -2213.3374 -3383.3922 3383.3922 2212 6.5112381e-06 -2213.3374 -2213.3374 -3383.3942 3383.3942 Loop time of 0.156413 on 1 procs for 162 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29001156 -2213.33737777 -2213.33737789 Force two-norm initial, final = 0.458918 0.00373476 Force max component initial, final = 0.0754693 0.000259341 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 162 162 Pair time (%) = 0.142739 (91.2578) Neigh time (%) = 0 (0) Comm time (%) = 0.00130677 (0.835462) Outpt time (%) = 0.00107312 (0.686082) Other time (%) = 0.0112941 (7.2207) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2212 0 -2213.3374 -2213.3374 -3383.3942 3383.3942 2213 9.0944041e-09 -2213.3374 -2213.3374 -3383.3942 3383.3942 Loop time of 0.00206614 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737789 -2213.33737789 -2213.33737789 Force two-norm initial, final = 0.00373476 0.00373476 Force max component initial, final = 0.000259341 0.000259341 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184774 (89.43) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.819294) Outpt time (%) = 0 (0) Other time (%) = 0.000201464 (9.75075) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.2798 -2213.2798 -3389.2266 3389.2266 2010 0.015287374 -2213.2807 -2213.2807 -3389.1731 3389.1731 2020 0.12719165 -2213.2872 -2213.2872 -3388.2843 3388.2843 2030 0.39437478 -2213.3089 -2213.3089 -3383.5969 3383.5969 2040 0.1062949 -2213.3342 -2213.3342 -3381.9908 3381.9908 2050 0.00013239722 -2213.3351 -2213.3351 -3383.1289 3383.1289 2060 0.0058314991 -2213.3354 -2213.3354 -3383.4539 3383.4539 2070 0.020230399 -2213.3366 -2213.3366 -3383.2446 3383.2446 2080 9.4351858e-05 -2213.3371 -2213.3371 -3383.8896 3383.8896 2090 9.0990323e-05 -2213.3372 -2213.3372 -3383.3957 3383.3957 2100 0.0011842081 -2213.3372 -2213.3372 -3383.5394 3383.5394 2110 0.00010201123 -2213.3373 -2213.3373 -3383.4133 3383.4133 2120 1.7303358e-06 -2213.3373 -2213.3373 -3383.3949 3383.3949 2130 0.00013200108 -2213.3374 -2213.3374 -3383.4241 3383.4241 2132 0.00020637247 -2213.3374 -2213.3374 -3383.4025 3383.4025 Loop time of 0.127275 on 1 procs for 132 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27981778 -2213.33735867 -2213.33736105 Force two-norm initial, final = 0.442343 0.00621834 Force max component initial, final = 0.046303 0.000534912 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 132 132 Pair time (%) = 0.116259 (91.345) Neigh time (%) = 0 (0) Comm time (%) = 0.00105691 (0.830414) Outpt time (%) = 0.000874281 (0.686923) Other time (%) = 0.00908446 (7.13767) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2132 0 -2213.3374 -2213.3374 -3383.4039 3383.4039 2133 2.5211464e-08 -2213.3374 -2213.3374 -3383.4039 3383.4039 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 = -2213.33736105 -2213.33736105 -2213.33736105 Force two-norm initial, final = 0.00621834 0.00621834 Force max component initial, final = 0.000534912 0.000534912 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184584 (88.9578) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.815811) Outpt time (%) = 0 (0) Other time (%) = 0.000212193 (10.2264) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2902 -2213.2902 -3394.0514 3394.0514 2060 0.016521286 -2213.2911 -2213.2911 -3393.391 3393.391 2070 0.15172671 -2213.2988 -2213.2988 -3388.054 3388.054 2080 0.43501419 -2213.3225 -2213.3225 -3385.506 3385.506 2090 0.145329 -2213.3311 -2213.3311 -3382.6755 3382.6755 2100 0.0003184491 -2213.3333 -2213.3333 -3382.9655 3382.9655 2110 0.01382013 -2213.3341 -2213.3341 -3381.9062 3381.9062 2120 0.04761732 -2213.3369 -2213.3369 -3382.9424 3382.9424 2130 0.00017456703 -2213.3368 -2213.3368 -3383.8465 3383.8465 2140 0.0051783429 -2213.3371 -2213.3371 -3383.7574 3383.7574 2150 0.00022324228 -2213.3373 -2213.3373 -3383.4658 3383.4658 2159 7.5634761e-05 -2213.3374 -2213.3374 -3383.4567 3383.4567 Loop time of 0.108775 on 1 procs for 109 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29017544 -2213.33734953 -2213.33735054 Force two-norm initial, final = 0.457325 0.00971846 Force max component initial, final = 0.0722144 0.00139611 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 109 109 Pair time (%) = 0.096662 (88.8641) Neigh time (%) = 0 (0) Comm time (%) = 0.000888109 (0.816463) Outpt time (%) = 0.000663996 (0.61043) Other time (%) = 0.010561 (9.70901) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2159 0 -2213.3374 -2213.3374 -3383.4572 3383.4572 2160 6.1580588e-08 -2213.3374 -2213.3374 -3383.4572 3383.4572 Loop time of 0.00225902 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735054 -2213.33735054 -2213.33735054 Force two-norm initial, final = 0.00971846 0.00971846 Force max component initial, final = 0.00139611 0.00139611 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198412 (87.8311) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.717678) Outpt time (%) = 0 (0) Other time (%) = 0.000258684 (11.4512) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.2888 -2213.2888 -3392.2863 3392.2863 2110 0.018351787 -2213.2899 -2213.2899 -3391.8863 3391.8863 2120 0.16673959 -2213.2983 -2213.2983 -3388.463 3388.463 2130 0.44746811 -2213.3222 -2213.3222 -3384.0419 3384.0419 2140 0.10973082 -2213.3307 -2213.3307 -3381.8882 3381.8882 2150 0.00027283756 -2213.3333 -2213.3333 -3382.6679 3382.6679 2160 0.013362251 -2213.3341 -2213.3341 -3382.0389 3382.0389 2170 0.047242147 -2213.3369 -2213.3369 -3382.8151 3382.8151 2180 0.00014951522 -2213.3368 -2213.3368 -3383.8073 3383.8073 2190 0.0051231429 -2213.3371 -2213.3371 -3383.8024 3383.8024 2200 0.0001228109 -2213.3373 -2213.3373 -3383.4663 3383.4663 2208 4.8713947e-05 -2213.3373 -2213.3373 -3383.4582 3383.4582 Loop time of 0.106915 on 1 procs for 108 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28880437 -2213.33734898 -2213.33734974 Force two-norm initial, final = 0.481723 0.00993599 Force max component initial, final = 0.0941874 0.00138326 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 108 108 Pair time (%) = 0.0954754 (89.3003) Neigh time (%) = 0 (0) Comm time (%) = 0.000880003 (0.823087) Outpt time (%) = 0.000665188 (0.622165) Other time (%) = 0.00989437 (9.25443) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2208 0 -2213.3373 -2213.3373 -3383.4585 3383.4585 2209 6.4368123e-08 -2213.3373 -2213.3373 -3383.4585 3383.4585 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 = -2213.33734974 -2213.33734974 -2213.33734974 Force two-norm initial, final = 0.00993599 0.00993599 Force max component initial, final = 0.00138326 0.00138326 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (87.019) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.718052) Outpt time (%) = 0 (0) Other time (%) = 0.000260592 (12.263) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2721 -2213.2721 -3386.4848 3386.4848 2060 0.01160423 -2213.2728 -2213.2728 -3386.562 3386.562 2070 0.11206977 -2213.2788 -2213.2788 -3386.8284 3386.8284 2080 0.52404171 -2213.3065 -2213.3065 -3380.6879 3380.6879 2090 0.037010174 -2213.3344 -2213.3344 -3383.6935 3383.6935 2100 3.9092643e-05 -2213.3351 -2213.3351 -3384.2058 3384.2058 2110 0.0052817627 -2213.3354 -2213.3354 -3384.5542 3384.5542 2120 0.022382237 -2213.3368 -2213.3368 -3383.2747 3383.2747 2130 7.3895599e-05 -2213.3371 -2213.3371 -3383.276 3383.276 2140 0.0010277598 -2213.3371 -2213.3371 -3383.5065 3383.5065 2150 0.00022229952 -2213.3373 -2213.3373 -3383.5876 3383.5876 2160 0.00015187752 -2213.3373 -2213.3373 -3383.3892 3383.3892 2168 0.00042712318 -2213.3373 -2213.3373 -3383.4033 3383.4033 Loop time of 0.116941 on 1 procs for 118 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27206662 -2213.33733043 -2213.33733486 Force two-norm initial, final = 0.382241 0.00862234 Force max component initial, final = 0.0342369 0.000661753 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 118 118 Pair time (%) = 0.104205 (89.1092) Neigh time (%) = 0 (0) Comm time (%) = 0.000966072 (0.826119) Outpt time (%) = 0.000736237 (0.62958) Other time (%) = 0.0110335 (9.43513) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2168 0 -2213.3373 -2213.3373 -3383.4063 3383.4063 2169 4.8472921e-08 -2213.3373 -2213.3373 -3383.4063 3383.4063 Loop time of 0.00209212 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733486 -2213.33733486 -2213.33733486 Force two-norm initial, final = 0.00862234 0.00862234 Force max component initial, final = 0.000661753 0.000661753 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185084 (88.4672) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.763533) Outpt time (%) = 0 (0) Other time (%) = 0.000225306 (10.7692) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.2998 -2213.2998 -3387.8305 3387.8305 2110 0.019250577 -2213.3009 -2213.3009 -3387.7081 3387.7081 2120 0.11643434 -2213.3073 -2213.3073 -3386.4826 3386.4826 2130 0.29024523 -2213.3217 -2213.3217 -3383.7253 3383.7253 2140 0.32602972 -2213.334 -2213.334 -3380.6174 3380.6174 2150 0.00024100236 -2213.3355 -2213.3355 -3382.9846 3382.9846 2160 0.0066576558 -2213.3359 -2213.3359 -3383.0472 3383.0472 2170 0.020980789 -2213.337 -2213.337 -3383.1393 3383.1393 2180 0.00017338975 -2213.337 -2213.337 -3383.3244 3383.3244 2190 0.0011505825 -2213.3371 -2213.3371 -3383.381 3383.381 2200 0.00020950687 -2213.3373 -2213.3373 -3383.4158 3383.4158 2210 0.00019551294 -2213.3373 -2213.3373 -3383.3981 3383.3981 2220 0.00064855781 -2213.3373 -2213.3373 -3383.4007 3383.4007 2224 0.0011824862 -2213.3374 -2213.3374 -3383.3651 3383.3651 Loop time of 0.124166 on 1 procs for 124 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29978933 -2213.33733555 -2213.33735038 Force two-norm initial, final = 0.501882 0.00838399 Force max component initial, final = 0.0831584 0.000680969 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 124 124 Pair time (%) = 0.110826 (89.2561) Neigh time (%) = 0 (0) Comm time (%) = 0.00101423 (0.816836) Outpt time (%) = 0.000810146 (0.65247) Other time (%) = 0.0115159 (9.27456) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2224 0 -2213.3374 -2213.3374 -3383.3732 3383.3732 2225 4.5830012e-08 -2213.3374 -2213.3374 -3383.3732 3383.3732 Loop time of 0.00209999 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735038 -2213.33735038 -2213.33735038 Force two-norm initial, final = 0.00838399 0.00838399 Force max component initial, final = 0.000680969 0.000680969 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (88.045) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.806085) Outpt time (%) = 0 (0) Other time (%) = 0.000234127 (11.149) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.2996 -2213.2996 -3383.6945 3383.6945 2160 0.021937088 -2213.3009 -2213.3009 -3384.2223 3384.2223 2170 0.11383147 -2213.3072 -2213.3072 -3387.7618 3387.7618 2180 0.2916579 -2213.3223 -2213.3223 -3381.8602 3381.8602 2190 0.10387698 -2213.3342 -2213.3342 -3382.4392 3382.4392 2200 0.01250602 -2213.335 -2213.335 -3382.1049 3382.1049 2210 0.0017422286 -2213.336 -2213.336 -3382.066 3382.066 2220 0.0030460985 -2213.3368 -2213.3368 -3383.6807 3383.6807 2230 0.0061309161 -2213.337 -2213.337 -3383.7329 3383.7329 2240 7.4538963e-06 -2213.3372 -2213.3372 -3383.5244 3383.5244 2250 0.00046635195 -2213.3372 -2213.3372 -3383.3277 3383.3277 2260 0.0018328018 -2213.3373 -2213.3373 -3383.1554 3383.1554 2270 0.00055143949 -2213.3373 -2213.3373 -3383.1301 3383.1301 2273 0.0013277379 -2213.3374 -2213.3374 -3383.3847 3383.3847 Loop time of 0.122513 on 1 procs for 123 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2995822 -2213.3373738 -2213.33737864 Force two-norm initial, final = 0.539456 0.00478275 Force max component initial, final = 0.0621745 0.000575593 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 123 123 Pair time (%) = 0.108962 (88.9388) Neigh time (%) = 0 (0) Comm time (%) = 0.000967979 (0.790103) Outpt time (%) = 0.000810862 (0.661857) Other time (%) = 0.0117726 (9.60929) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2273 0 -2213.3374 -2213.3374 -3383.3938 3383.3938 2274 1.4914366e-08 -2213.3374 -2213.3374 -3383.3938 3383.3938 Loop time of 0.00209689 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737864 -2213.33737864 -2213.33737864 Force two-norm initial, final = 0.00478275 0.00478275 Force max component initial, final = 0.000575593 0.000575593 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184965 (88.2092) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.795907) Outpt time (%) = 0 (0) Other time (%) = 0.000230551 (10.9949) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.292 -2213.292 -3387.1766 3387.1766 2110 0.010800314 -2213.2926 -2213.2926 -3387.111 3387.111 2120 0.090877514 -2213.2977 -2213.2977 -3386.5093 3386.5093 2130 0.39481638 -2213.3181 -2213.3181 -3383.0079 3383.0079 2140 0.044723699 -2213.3329 -2213.3329 -3383.6268 3383.6268 2150 0.021403254 -2213.3354 -2213.3354 -3383.1378 3383.1378 2160 0.01167144 -2213.337 -2213.337 -3383.3276 3383.3276 2170 0.00065968464 -2213.3372 -2213.3372 -3383.2825 3383.2825 2180 0.0027682418 -2213.3373 -2213.3373 -3383.39 3383.39 2190 0.0019161522 -2213.3373 -2213.3373 -3383.2181 3383.2181 2200 0.00051698283 -2213.3373 -2213.3373 -3383.3569 3383.3569 2210 7.2733909e-05 -2213.3374 -2213.3374 -3383.4196 3383.4196 2212 0.00011071912 -2213.3374 -2213.3374 -3383.404 3383.404 Loop time of 0.111091 on 1 procs for 112 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29197485 -2213.33737935 -2213.33738016 Force two-norm initial, final = 0.371787 0.00591846 Force max component initial, final = 0.0378453 0.000558599 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 112 112 Pair time (%) = 0.0989783 (89.0967) Neigh time (%) = 0 (0) Comm time (%) = 0.000903606 (0.813394) Outpt time (%) = 0.000733137 (0.659943) Other time (%) = 0.0104759 (9.43) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2212 0 -2213.3374 -2213.3374 -3383.4048 3383.4048 2213 2.283846e-08 -2213.3374 -2213.3374 -3383.4048 3383.4048 Loop time of 0.00211811 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738016 -2213.33738016 -2213.33738016 Force two-norm initial, final = 0.00591846 0.00591846 Force max component initial, final = 0.000558599 0.000558599 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184989 (87.3368) Neigh time (%) = 0 (0) Comm time (%) = 1.40667e-05 (0.664115) Outpt time (%) = 0 (0) Other time (%) = 0.000254154 (11.9991) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.2897 -2213.2897 -3388.0823 3388.0823 2160 0.0069379857 -2213.2901 -2213.2901 -3388.0453 3388.0453 2170 0.065747271 -2213.2938 -2213.2938 -3387.6283 3387.6283 2180 0.35719418 -2213.3122 -2213.3122 -3383.204 3383.204 2190 0.020339528 -2213.336 -2213.336 -3382.2439 3382.2439 2200 0.0051676363 -2213.337 -2213.337 -3382.9219 3382.9219 2210 0.0034248603 -2213.3372 -2213.3372 -3383.6222 3383.6222 2220 0.00070386859 -2213.3372 -2213.3372 -3383.2459 3383.2459 2230 0.0015534483 -2213.3373 -2213.3373 -3383.3935 3383.3935 2240 0.00035298918 -2213.3374 -2213.3374 -3383.3677 3383.3677 2250 6.9725924e-05 -2213.3374 -2213.3374 -3383.4171 3383.4171 2255 0.00018330563 -2213.3374 -2213.3374 -3383.4062 3383.4062 Loop time of 0.104317 on 1 procs for 105 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28972983 -2213.3373603 -2213.33736246 Force two-norm initial, final = 0.295984 0.00642972 Force max component initial, final = 0.0346466 0.000567773 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 105 105 Pair time (%) = 0.0932455 (89.3867) Neigh time (%) = 0 (0) Comm time (%) = 0.0008533 (0.817988) Outpt time (%) = 0.000669718 (0.642003) Other time (%) = 0.00954843 (9.15328) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2255 0 -2213.3374 -2213.3374 -3383.4075 3383.4075 2256 2.6954621e-08 -2213.3374 -2213.3374 -3383.4075 3383.4075 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 = -2213.33736246 -2213.33736246 -2213.33736246 Force two-norm initial, final = 0.00642972 0.00642972 Force max component initial, final = 0.000567773 0.000567773 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018599 (87.3572) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.783875) Outpt time (%) = 0 (0) Other time (%) = 0.000252485 (11.8589) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.2777 -2213.2777 -3383.074 3383.074 2210 0.020160161 -2213.2789 -2213.2789 -3383.8316 3383.8316 2220 0.12400929 -2213.2858 -2213.2858 -3389.0623 3389.0623 2230 0.43801686 -2213.3078 -2213.3078 -3379.9894 3379.9894 2240 0.25021394 -2213.3345 -2213.3345 -3378.6703 3378.6703 2250 0.00013857961 -2213.3357 -2213.3357 -3382.3982 3382.3982 2260 0.0040471878 -2213.3359 -2213.3359 -3383.8545 3383.8545 2270 0.017093404 -2213.3368 -2213.3368 -3383.1653 3383.1653 2280 9.1015047e-05 -2213.3372 -2213.3372 -3383.6075 3383.6075 2290 0.0015564935 -2213.3373 -2213.3373 -3383.2802 3383.2802 2300 0.00022532206 -2213.3373 -2213.3373 -3383.4011 3383.4011 Loop time of 0.103723 on 1 procs for 100 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27772941 -2213.33733558 -2213.33733876 Force two-norm initial, final = 0.513609 0.00982421 Force max component initial, final = 0.122737 0.00106228 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 100 100 Pair time (%) = 0.0894122 (86.2028) Neigh time (%) = 0 (0) Comm time (%) = 0.000798702 (0.770034) Outpt time (%) = 0.000597239 (0.575801) Other time (%) = 0.0129149 (12.4513) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.3373 -2213.3373 -3383.4026 3383.4026 2301 6.292804e-08 -2213.3373 -2213.3373 -3383.4026 3383.4026 Loop time of 0.00215602 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733876 -2213.33733876 -2213.33733876 Force two-norm initial, final = 0.00982421 0.00982421 Force max component initial, final = 0.00106228 0.00106228 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (85.8565) Neigh time (%) = 0 (0) Comm time (%) = 1.38283e-05 (0.64138) Outpt time (%) = 0 (0) Other time (%) = 0.000291109 (13.5022) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.2067 -2213.2067 -3392.9048 3392.9048 2160 0.048663177 -2213.2096 -2213.2096 -3392.7757 3392.7757 2170 0.37184033 -2213.2296 -2213.2296 -3391.6063 3391.6063 2180 0.93918548 -2213.2761 -2213.2761 -3383.6356 3383.6356 2190 0.17496251 -2213.3199 -2213.3199 -3383.1231 3383.1231 2200 0.041259805 -2213.3362 -2213.3362 -3382.8758 3382.8758 2210 0.0054051771 -2213.3361 -2213.3361 -3382.4112 3382.4112 2220 0.00067066431 -2213.337 -2213.337 -3383.434 3383.434 2230 0.002136645 -2213.3371 -2213.3371 -3383.2455 3383.2455 2240 0.0020224285 -2213.3373 -2213.3373 -3383.3355 3383.3355 2250 0.00036383317 -2213.3373 -2213.3373 -3383.4186 3383.4186 2260 0.00055393057 -2213.3373 -2213.3373 -3383.463 3383.463 2270 2.7531987e-06 -2213.3374 -2213.3374 -3383.401 3383.401 2280 6.513499e-05 -2213.3374 -2213.3374 -3383.3902 3383.3902 2286 0.00020996762 -2213.3374 -2213.3374 -3383.3935 3383.3935 Loop time of 0.13473 on 1 procs for 136 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.20674524 -2213.33737894 -2213.33738086 Force two-norm initial, final = 0.789627 0.00343962 Force max component initial, final = 0.123951 0.000250644 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 136 136 Pair time (%) = 0.119991 (89.0605) Neigh time (%) = 0 (0) Comm time (%) = 0.0011034 (0.818972) Outpt time (%) = 0.000883818 (0.655991) Other time (%) = 0.0127516 (9.46454) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2286 0 -2213.3374 -2213.3374 -3383.3949 3383.3949 2290 1.233547e-07 -2213.3374 -2213.3374 -3383.3949 3383.3949 2300 2.6183654e-06 -2213.3374 -2213.3374 -3383.396 3383.396 2310 1.9536889e-05 -2213.3374 -2213.3374 -3383.3976 3383.3976 2320 8.1293129e-05 -2213.3374 -2213.3374 -3383.4009 3383.4009 2330 2.4136368e-07 -2213.3374 -2213.3374 -3383.3954 3383.3954 2340 3.2451957e-06 -2213.3374 -2213.3374 -3383.3944 3383.3944 2350 3.0397815e-09 -2213.3374 -2213.3374 -3383.3947 3383.3947 2360 4.6528932e-07 -2213.3374 -2213.3374 -3383.3947 3383.3947 2370 2.7638038e-06 -2213.3374 -2213.3374 -3383.3948 3383.3948 2380 1.4554741e-10 -2213.3374 -2213.3374 -3383.3946 3383.3946 2390 2.2176901e-09 -2213.3374 -2213.3374 -3383.3947 3383.3947 2400 1.1320291e-09 -2213.3374 -2213.3374 -3383.3945 3383.3945 2410 2.8315192e-10 -2213.3374 -2213.3374 -3383.3946 3383.3946 2420 2.0034183e-11 -2213.3374 -2213.3374 -3383.3946 3383.3946 2430 8.9366984e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2440 9.1261995e-11 -2213.3374 -2213.3374 -3383.3946 3383.3946 2450 2.556784e-10 -2213.3374 -2213.3374 -3383.3946 3383.3946 2460 2.0829804e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2470 2.490061e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2480 1.5766378e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2486 8.8568487e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 Loop time of 0.197879 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33738086 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00343962 9.81442e-07 Force max component initial, final = 0.000250644 7.46833e-08 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.174573 (88.222) Neigh time (%) = 0 (0) Comm time (%) = 0.00156713 (0.791961) Outpt time (%) = 0.00139761 (0.706295) Other time (%) = 0.0203414 (10.2797) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.2835 -2213.2835 -3384.5427 3384.5427 2210 0.017205588 -2213.2845 -2213.2845 -3384.9587 3384.9587 2220 0.11437076 -2213.2908 -2213.2908 -3387.8521 3387.8521 2230 0.38575069 -2213.3109 -2213.3109 -3383.1273 3383.1273 2240 0.13783876 -2213.3332 -2213.3332 -3382.3058 3382.3058 2250 0.013511874 -2213.3341 -2213.3341 -3382.2892 3382.2892 2260 0.0021971867 -2213.3355 -2213.3355 -3382.3038 3382.3038 2270 0.0039725857 -2213.3364 -2213.3364 -3383.7829 3383.7829 2280 0.00058146705 -2213.3365 -2213.3365 -3383.3974 3383.3974 2290 0.003361654 -2213.3367 -2213.3367 -3383.5114 3383.5114 2300 0.01491057 -2213.3372 -2213.3372 -3382.8886 3382.8886 2310 0.00066763505 -2213.3373 -2213.3373 -3383.443 3383.443 2320 6.0270903e-05 -2213.3373 -2213.3373 -3383.4082 3383.4082 2329 0.00034258569 -2213.3373 -2213.3373 -3383.392 3383.392 Loop time of 0.130172 on 1 procs for 129 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28349376 -2213.33733481 -2213.33733832 Force two-norm initial, final = 0.473869 0.00789339 Force max component initial, final = 0.0556199 0.000543757 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 129 129 Pair time (%) = 0.113831 (87.4466) Neigh time (%) = 0 (0) Comm time (%) = 0.00103641 (0.796182) Outpt time (%) = 0.000795126 (0.610827) Other time (%) = 0.0145094 (11.1464) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2329 0 -2213.3373 -2213.3373 -3383.3944 3383.3944 2330 4.0623387e-08 -2213.3373 -2213.3373 -3383.3944 3383.3944 Loop time of 0.002285 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733832 -2213.33733832 -2213.33733832 Force two-norm initial, final = 0.00789339 0.00789339 Force max component initial, final = 0.000543757 0.000543757 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198412 (86.8322) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.751252) Outpt time (%) = 0 (0) Other time (%) = 0.000283718 (12.4165) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.2812 -2213.2812 -3390.7107 3390.7107 2260 0.049963341 -2213.2841 -2213.2841 -3389.7747 3389.7747 2270 0.24363688 -2213.2973 -2213.2973 -3383.0268 3383.0268 2280 0.34430765 -2213.3123 -2213.3123 -3389.2848 3389.2848 2290 0.31891449 -2213.3318 -2213.3318 -3380.8142 3380.8142 2300 0.045447582 -2213.3331 -2213.3331 -3382.7242 3382.7242 2310 0.014968381 -2213.334 -2213.334 -3383.2176 3383.2176 2320 0.028717399 -2213.3352 -2213.3352 -3383.0029 3383.0029 2330 0.00038822851 -2213.3364 -2213.3364 -3383.5106 3383.5106 2340 0.0025919193 -2213.3365 -2213.3365 -3383.3924 3383.3924 2350 0.00094531367 -2213.3368 -2213.3368 -3383.1065 3383.1065 2360 0.0001752908 -2213.3371 -2213.3371 -3383.4295 3383.4295 2370 0.0018055114 -2213.3372 -2213.3372 -3383.4428 3383.4428 2380 0.0002682417 -2213.3374 -2213.3374 -3383.2994 3383.2994 2381 0.00048772801 -2213.3374 -2213.3374 -3383.3755 3383.3755 Loop time of 0.133261 on 1 procs for 131 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28115227 -2213.33738094 -2213.33738789 Force two-norm initial, final = 0.813465 0.00361304 Force max component initial, final = 0.104009 0.000287957 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 131 131 Pair time (%) = 0.115791 (86.8903) Neigh time (%) = 0 (0) Comm time (%) = 0.0010705 (0.803309) Outpt time (%) = 0.000876427 (0.657676) Other time (%) = 0.0155232 (11.6487) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2381 0 -2213.3374 -2213.3374 -3383.3788 3383.3788 2382 8.511271e-09 -2213.3374 -2213.3374 -3383.3788 3383.3788 Loop time of 0.00207996 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738789 -2213.33738789 -2213.33738789 Force two-norm initial, final = 0.00361304 0.00361304 Force max component initial, final = 0.000287957 0.000287957 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (88.95) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.722146) Outpt time (%) = 0 (0) Other time (%) = 0.000214815 (10.3278) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.2824 -2213.2824 -3389.8226 3389.8226 2210 0.014816712 -2213.2833 -2213.2833 -3389.7435 3389.7435 2220 0.12775237 -2213.29 -2213.29 -3388.7782 3388.7782 2230 0.41087812 -2213.312 -2213.312 -3383.0278 3383.0278 2240 0.046179063 -2213.3345 -2213.3345 -3381.7519 3381.7519 2250 0.015158179 -2213.3356 -2213.3356 -3382.3766 3382.3766 2260 0.063232969 -2213.3367 -2213.3367 -3383.0341 3383.0341 2270 0.0006559254 -2213.3371 -2213.3371 -3383.5961 3383.5961 2280 0.0023729421 -2213.3372 -2213.3372 -3383.4873 3383.4873 2290 0.00057534047 -2213.3373 -2213.3373 -3383.5143 3383.5143 2300 0.00020816847 -2213.3373 -2213.3373 -3383.6115 3383.6115 2310 0.00068979794 -2213.3374 -2213.3374 -3383.3585 3383.3585 2320 7.0900535e-05 -2213.3374 -2213.3374 -3383.4109 3383.4109 2330 0.00018825369 -2213.3374 -2213.3374 -3383.3932 3383.3932 2340 7.5388335e-05 -2213.3374 -2213.3374 -3383.4457 3383.4457 2342 0.00055816668 -2213.3374 -2213.3374 -3383.4044 3383.4044 Loop time of 0.140209 on 1 procs for 142 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28238468 -2213.33737667 -2213.33738558 Force two-norm initial, final = 0.434228 0.00649427 Force max component initial, final = 0.0418506 0.000428099 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 142 142 Pair time (%) = 0.125133 (89.2472) Neigh time (%) = 0 (0) Comm time (%) = 0.00114727 (0.818257) Outpt time (%) = 0.000936031 (0.667597) Other time (%) = 0.0129931 (9.26695) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2342 0 -2213.3374 -2213.3374 -3383.4082 3383.4082 2350 1.8034894e-06 -2213.3374 -2213.3374 -3383.4072 3383.4072 2360 9.1126333e-06 -2213.3374 -2213.3374 -3383.3978 3383.3978 2370 1.7707819e-05 -2213.3374 -2213.3374 -3383.3995 3383.3995 2380 2.4879801e-05 -2213.3374 -2213.3374 -3383.402 3383.402 2390 3.1623363e-06 -2213.3374 -2213.3374 -3383.3947 3383.3947 2400 1.910139e-05 -2213.3374 -2213.3374 -3383.394 3383.394 2410 4.215239e-08 -2213.3374 -2213.3374 -3383.3952 3383.3952 2420 5.4092582e-07 -2213.3374 -2213.3374 -3383.3948 3383.3948 2430 1.8837965e-06 -2213.3374 -2213.3374 -3383.3946 3383.3946 2440 8.7170445e-09 -2213.3374 -2213.3374 -3383.3946 3383.3946 2450 1.1149037e-08 -2213.3374 -2213.3374 -3383.3945 3383.3945 2460 5.8782842e-11 -2213.3374 -2213.3374 -3383.3946 3383.3946 2470 2.1425366e-10 -2213.3374 -2213.3374 -3383.3946 3383.3946 2480 3.1556893e-11 -2213.3374 -2213.3374 -3383.3946 3383.3946 2490 1.2607784e-11 -2213.3374 -2213.3374 -3383.3946 3383.3946 2500 2.1812522e-11 -2213.3374 -2213.3374 -3383.3946 3383.3946 2510 2.5133747e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946 2520 3.281225e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2530 7.4148413e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2540 6.4863691e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 2542 8.8141955e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946 Loop time of 0.196106 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33738558 -2213.3373891 -2213.3373891 Force two-norm initial, final = 0.00649427 5.01045e-07 Force max component initial, final = 0.000428099 4.3608e-08 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.174786 (89.1284) Neigh time (%) = 0 (0) Comm time (%) = 0.00156736 (0.799242) Outpt time (%) = 0.00139427 (0.710978) Other time (%) = 0.0183582 (9.36137) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.2704 -2213.2704 -3394.6081 3394.6081 2260 0.032813865 -2213.2723 -2213.2723 -3393.9781 3393.9781 2270 0.14744436 -2213.2806 -2213.2806 -3388.8271 3388.8271 2280 0.44249487 -2213.3044 -2213.3044 -3386.4586 3386.4586 2290 0.28495918 -2213.3309 -2213.3309 -3381.4445 3381.4445 2300 0.017240225 -2213.3321 -2213.3321 -3383.2239 3383.2239 2310 0.0060107668 -2213.3335 -2213.3335 -3382.9934 3382.9934 2320 0.011489574 -2213.3358 -2213.3358 -3383.4705 3383.4705 2330 0.0015592635 -2213.336 -2213.336 -3383.4618 3383.4618 2340 0.005646181 -2213.3363 -2213.3363 -3383.4654 3383.4654 2350 0.035525109 -2213.3367 -2213.3367 -3382.8949 3382.8949 2360 0.0033150497 -2213.3373 -2213.3373 -3383.3959 3383.3959 2370 0.00021756583 -2213.3373 -2213.3373 -3383.402 3383.402 2380 0.00072522412 -2213.3373 -2213.3373 -3383.3858 3383.3858 2390 0.0014340069 -2213.3373 -2213.3373 -3383.321 3383.321 2398 0.00064568036 -2213.3374 -2213.3374 -3383.3923 3383.3923 Loop time of 0.14304 on 1 procs for 148 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27039946 -2213.33737582 -2213.33737909 Force two-norm initial, final = 0.663706 0.00436042 Force max component initial, final = 0.0613997 0.000488695 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 148 148 Pair time (%) = 0.130316 (91.1047) Neigh time (%) = 0 (0) Comm time (%) = 0.00118375 (0.827563) Outpt time (%) = 0.000929832 (0.65005) Other time (%) = 0.0106103 (7.41774) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2398 0 -2213.3374 -2213.3374 -3383.3967 3383.3967 2399 1.2396705e-08 -2213.3374 -2213.3374 -3383.3967 3383.3967 Loop time of 0.00208616 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737909 -2213.33737909 -2213.33737909 Force two-norm initial, final = 0.00436042 0.00436042 Force max component initial, final = 0.000488695 0.000488695 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186706 (89.4971) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.822857) Outpt time (%) = 0 (0) Other time (%) = 0.000201941 (9.68) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.2888 -2213.2888 -3395.0146 3395.0146 2310 0.015094294 -2213.2897 -2213.2897 -3394.1823 3394.1823 2320 0.13987712 -2213.2971 -2213.2971 -3387.8001 3387.8001 2330 0.4632369 -2213.3231 -2213.3231 -3386.4839 3386.4839 2340 0.1681924 -2213.3309 -2213.3309 -3383.9217 3383.9217 2350 0.034411154 -2213.3329 -2213.3329 -3386.3236 3386.3236 2360 0.001981378 -2213.3362 -2213.3362 -3386.3643 3386.3643 2370 0.0035423266 -2213.337 -2213.337 -3382.7535 3382.7535 2380 0.0057132843 -2213.3372 -2213.3372 -3382.6084 3382.6084 2390 4.8940499e-05 -2213.3372 -2213.3372 -3383.6864 3383.6864 2400 0.00039767836 -2213.3373 -2213.3373 -3383.1546 3383.1546 2410 0.0024105314 -2213.3373 -2213.3373 -3383.1962 3383.1962 2420 2.910584e-05 -2213.3374 -2213.3374 -3383.4139 3383.4139 2430 0.00016831163 -2213.3374 -2213.3374 -3383.3794 3383.3794 2438 0.00073675199 -2213.3374 -2213.3374 -3383.3538 3383.3538 Loop time of 0.133555 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28884779 -2213.33737536 -2213.33738329 Force two-norm initial, final = 0.438112 0.00383371 Force max component initial, final = 0.0498683 0.000359015 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.121904 (91.2764) Neigh time (%) = 0 (0) Comm time (%) = 0.00112772 (0.844387) Outpt time (%) = 0.000873566 (0.654087) Other time (%) = 0.00964952 (7.22513) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2438 0 -2213.3374 -2213.3374 -3383.3589 3383.3589 2439 9.5826858e-09 -2213.3374 -2213.3374 -3383.3589 3383.3589 Loop time of 0.00205898 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 = 0.00383371 0.00383371 Force max component initial, final = 0.000359015 0.000359015 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185084 (89.8912) Neigh time (%) = 0 (0) Comm time (%) = 1.35899e-05 (0.660028) Outpt time (%) = 0 (0) Other time (%) = 0.00019455 (9.44882) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.2943 -2213.2943 -3390.9182 3390.9182 2260 0.023910677 -2213.2957 -2213.2957 -3390.7946 3390.7946 2270 0.15006567 -2213.3039 -2213.3039 -3389.0103 3389.0103 2280 0.34947307 -2213.3213 -2213.3213 -3380.1792 3380.1792 2290 0.16399033 -2213.334 -2213.334 -3382.1457 3382.1457 2300 0.012974671 -2213.3349 -2213.3349 -3383.1617 3383.1617 2310 0.0027684914 -2213.3357 -2213.3357 -3383.414 3383.414 2320 0.0049210798 -2213.3368 -2213.3368 -3383.3528 3383.3528 2330 0.007298864 -2213.3369 -2213.3369 -3383.1783 3383.1783 2340 0.00093905434 -2213.337 -2213.337 -3383.516 3383.516 2350 0.0018418602 -2213.3372 -2213.3372 -3383.4281 3383.4281 2360 0.00064948087 -2213.3372 -2213.3372 -3383.2289 3383.2289 2370 0.00012181382 -2213.3372 -2213.3372 -3383.4224 3383.4224 2380 0.00052600637 -2213.3373 -2213.3373 -3383.3873 3383.3873 2389 0.002861327 -2213.3374 -2213.3374 -3383.3666 3383.3666 Loop time of 0.133793 on 1 procs for 139 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29433425 -2213.33733375 -2213.33736716 Force two-norm initial, final = 0.558878 0.00761367 Force max component initial, final = 0.0743324 0.000653397 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 139 139 Pair time (%) = 0.122322 (91.4259) Neigh time (%) = 0 (0) Comm time (%) = 0.00113678 (0.849655) Outpt time (%) = 0.00087285 (0.652388) Other time (%) = 0.00946188 (7.07202) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2389 0 -2213.3374 -2213.3374 -3383.3863 3383.3863 2390 3.779523e-08 -2213.3374 -2213.3374 -3383.3863 3383.3863 Loop time of 0.00219393 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736716 -2213.33736716 -2213.33736716 Force two-norm initial, final = 0.00761367 0.00761367 Force max component initial, final = 0.000653397 0.000653397 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198889 (90.6542) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.728103) Outpt time (%) = 0 (0) Other time (%) = 0.000189066 (8.61769) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.253 -2213.253 -3397.9257 3397.9257 2310 0.034633655 -2213.255 -2213.255 -3396.9516 3396.9516 2320 0.19720465 -2213.2656 -2213.2656 -3389.2289 3389.2289 2330 0.57256976 -2213.295 -2213.295 -3387.746 3387.746 2340 0.5003529 -2213.3318 -2213.3318 -3382.5941 3382.5941 2350 0.0002165749 -2213.3345 -2213.3345 -3384.5366 3384.5366 2360 0.0058751942 -2213.3348 -2213.3348 -3382.7007 3382.7007 2370 0.028464491 -2213.3363 -2213.3363 -3383.4369 3383.4369 2380 0.0016134012 -2213.3371 -2213.3371 -3382.9709 3382.9709 2390 2.0064515e-06 -2213.3372 -2213.3372 -3383.3664 3383.3664 2400 0.0002586092 -2213.3372 -2213.3372 -3383.517 3383.517 2409 0.0014207312 -2213.3373 -2213.3373 -3383.4001 3383.4001 Loop time of 0.105864 on 1 procs for 109 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25298011 -2213.33730679 -2213.33732028 Force two-norm initial, final = 0.674703 0.00920066 Force max component initial, final = 0.070623 0.000670016 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 109 109 Pair time (%) = 0.0963998 (91.06) Neigh time (%) = 0 (0) Comm time (%) = 0.000882387 (0.83351) Outpt time (%) = 0.000665188 (0.628342) Other time (%) = 0.00791669 (7.47817) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2409 0 -2213.3373 -2213.3373 -3383.4099 3383.4099 2410 5.5193328e-08 -2213.3373 -2213.3373 -3383.4099 3383.4099 Loop time of 0.00220919 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732028 -2213.33732028 -2213.33732028 Force two-norm initial, final = 0.00920066 0.00920066 Force max component initial, final = 0.000670016 0.000670016 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198531 (89.8662) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.723074) Outpt time (%) = 0 (0) Other time (%) = 0.000207901 (9.41075) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.2129 -2213.2129 -3398.086 3398.086 2360 0.034107276 -2213.2149 -2213.2149 -3397.7209 3397.7209 2370 0.26784719 -2213.2292 -2213.2292 -3394.2762 3394.2762 2380 0.92347224 -2213.2772 -2213.2772 -3383.1162 3383.1162 2390 0.090498945 -2213.3278 -2213.3278 -3380.4269 3380.4269 2400 0.028190839 -2213.3361 -2213.3361 -3383.4852 3383.4852 2410 0.0047776873 -2213.3363 -2213.3363 -3383.1812 3383.1812 2420 0.01070992 -2213.3369 -2213.3369 -3383.9503 3383.9503 2430 8.5667087e-05 -2213.3371 -2213.3371 -3384.0352 3384.0352 2440 1.6866169e-05 -2213.3372 -2213.3372 -3383.3799 3383.3799 2450 0.00029104302 -2213.3373 -2213.3373 -3383.4461 3383.4461 2460 0.0014522901 -2213.3373 -2213.3373 -3383.373 3383.373 Loop time of 0.107198 on 1 procs for 110 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.21286413 -2213.33732626 -2213.33733802 Force two-norm initial, final = 0.66136 0.00821793 Force max component initial, final = 0.162663 0.000697828 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 110 110 Pair time (%) = 0.0978131 (91.2453) Neigh time (%) = 0 (0) Comm time (%) = 0.000896215 (0.836037) Outpt time (%) = 0.000678062 (0.632533) Other time (%) = 0.00781059 (7.28614) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2460 0 -2213.3373 -2213.3373 -3383.383 3383.383 2461 4.4032531e-08 -2213.3373 -2213.3373 -3383.383 3383.383 Loop time of 0.00205684 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733802 -2213.33733802 -2213.33733802 Force two-norm initial, final = 0.00821793 0.00821793 Force max component initial, final = 0.000697828 0.000697828 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.9965) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.788223) Outpt time (%) = 0 (0) Other time (%) = 0.000189543 (9.21525) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.321 -2213.321 -3384.186 3384.186 2310 0.024467859 -2213.3225 -2213.3225 -3383.9425 3383.9425 2320 0.094150707 -2213.3277 -2213.3277 -3382.2296 3382.2296 2330 0.093352346 -2213.3309 -2213.3309 -3385.4033 3385.4033 2340 0.00050760632 -2213.3336 -2213.3336 -3384.6726 3384.6726 2350 0.013522259 -2213.3347 -2213.3347 -3383.2079 3383.2079 2360 0.067974096 -2213.336 -2213.336 -3382.4464 3382.4464 2370 0.016355467 -2213.3367 -2213.3367 -3383.5392 3383.5392 2380 0.0015312489 -2213.3368 -2213.3368 -3383.6081 3383.6081 2390 0.0042051216 -2213.3369 -2213.3369 -3383.5436 3383.5436 2400 0.00024815126 -2213.3372 -2213.3372 -3383.3868 3383.3868 2410 0.0017369752 -2213.3373 -2213.3373 -3383.4066 3383.4066 2420 5.5023985e-05 -2213.3373 -2213.3373 -3383.4627 3383.4627 2425 0.0010867033 -2213.3374 -2213.3374 -3383.3787 3383.3787 Loop time of 0.12039 on 1 procs for 125 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3210167 -2213.3373753 -2213.33737863 Force two-norm initial, final = 0.573053 0.00482079 Force max component initial, final = 0.0497961 0.000356882 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 125 125 Pair time (%) = 0.110184 (91.5226) Neigh time (%) = 0 (0) Comm time (%) = 0.000985861 (0.81889) Outpt time (%) = 0.000800848 (0.665212) Other time (%) = 0.00841928 (6.99334) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2425 0 -2213.3374 -2213.3374 -3383.3862 3383.3862 2426 1.5152508e-08 -2213.3374 -2213.3374 -3383.3862 3383.3862 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 = -2213.33737863 -2213.33737863 -2213.33737863 Force two-norm initial, final = 0.00482079 0.00482079 Force max component initial, final = 0.000356882 0.000356882 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184298 (88.9119) Neigh time (%) = 0 (0) Comm time (%) = 1.90735e-05 (0.920175) Outpt time (%) = 0 (0) Other time (%) = 0.000210762 (10.1679) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.2884 -2213.2884 -3391.5951 3391.5951 2360 0.01330695 -2213.2892 -2213.2892 -3391.1058 3391.1058 2370 0.10490158 -2213.2947 -2213.2947 -3387.2369 3387.2369 2380 0.35814352 -2213.3144 -2213.3144 -3387.0168 3387.0168 2390 0.048589336 -2213.3329 -2213.3329 -3382.1932 3382.1932 2400 0.017136499 -2213.3339 -2213.3339 -3382.8334 3382.8334 2410 0.00056862895 -2213.3361 -2213.3361 -3383.3375 3383.3375 2420 0.001389637 -2213.3364 -2213.3364 -3383.5627 3383.5627 2430 0.00036032036 -2213.3365 -2213.3365 -3383.4673 3383.4673 2440 0.003311046 -2213.3367 -2213.3367 -3383.4447 3383.4447 2450 0.010603775 -2213.3373 -2213.3373 -3383.1704 3383.1704 2460 0.00027513548 -2213.3373 -2213.3373 -3383.4246 3383.4246 2470 6.1665807e-05 -2213.3373 -2213.3373 -3383.4085 3383.4085 2478 0.00032733332 -2213.3373 -2213.3373 -3383.4073 3383.4073 Loop time of 0.125274 on 1 procs for 128 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28840244 -2213.33732773 -2213.33733139 Force two-norm initial, final = 0.413991 0.00897874 Force max component initial, final = 0.0427917 0.00082199 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 128 128 Pair time (%) = 0.11356 (90.6493) Neigh time (%) = 0 (0) Comm time (%) = 0.00103235 (0.824074) Outpt time (%) = 0.00080514 (0.642702) Other time (%) = 0.00987649 (7.8839) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2478 0 -2213.3373 -2213.3373 -3383.4096 3383.4096 2479 5.2562883e-08 -2213.3373 -2213.3373 -3383.4096 3383.4096 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 = -2213.33733139 -2213.33733139 -2213.33733139 Force two-norm initial, final = 0.00897874 0.00897874 Force max component initial, final = 0.00082199 0.00082199 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (85.6512) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.739514) Outpt time (%) = 0 (0) Other time (%) = 0.00029397 (13.6093) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.2666 -2213.2666 -3392.032 3392.032 2410 0.012761424 -2213.2673 -2213.2673 -3391.7484 3391.7484 2420 0.10765694 -2213.273 -2213.273 -3389.4176 3389.4176 2430 0.49569306 -2213.3005 -2213.3005 -3385.3291 3385.3291 2440 0.11642616 -2213.3318 -2213.3318 -3381.8712 3381.8712 2450 0.012768007 -2213.3326 -2213.3326 -3383.8604 3383.8604 2460 0.0025097827 -2213.3348 -2213.3348 -3384.3235 3384.3235 2470 0.0052224022 -2213.3358 -2213.3358 -3383.3856 3383.3856 2480 0.00088457495 -2213.336 -2213.336 -3383.6382 3383.6382 2490 0.00498796 -2213.3362 -2213.3362 -3383.4011 3383.4011 2500 0.023408503 -2213.3371 -2213.3371 -3383.4575 3383.4575 2510 0.0011524298 -2213.3373 -2213.3373 -3383.4053 3383.4053 2520 0.00011175826 -2213.3373 -2213.3373 -3383.4242 3383.4242 2530 0.00065041011 -2213.3373 -2213.3373 -3383.4092 3383.4092 2533 0.001015847 -2213.3373 -2213.3373 -3383.3969 3383.3969 Loop time of 0.134634 on 1 procs for 133 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26657095 -2213.33731787 -2213.33732892 Force two-norm initial, final = 0.405049 0.00900313 Force max component initial, final = 0.0330954 0.000679173 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 133 133 Pair time (%) = 0.117713 (87.4316) Neigh time (%) = 0 (0) Comm time (%) = 0.00108671 (0.80716) Outpt time (%) = 0.000876665 (0.651147) Other time (%) = 0.0149579 (11.11) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2533 0 -2213.3373 -2213.3373 -3383.4038 3383.4038 2534 5.2848842e-08 -2213.3373 -2213.3373 -3383.4038 3383.4038 Loop time of 0.00217509 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732892 -2213.33732892 -2213.33732892 Force two-norm initial, final = 0.00900313 0.00900313 Force max component initial, final = 0.000679173 0.000679173 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (85.1036) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.701524) Outpt time (%) = 0 (0) Other time (%) = 0.000308752 (14.1949) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.307 -2213.307 -3381.196 3381.196 2360 0.018198149 -2213.308 -2213.308 -3381.5983 3381.5983 2370 0.15772284 -2213.3159 -2213.3159 -3384.3676 3384.3676 2380 0.22380299 -2213.3284 -2213.3284 -3380.9041 3380.9041 2390 0.00016942704 -2213.3325 -2213.3325 -3383.2668 3383.2668 2400 0.020802413 -2213.3336 -2213.3336 -3384.1625 3384.1625 2410 0.0013028372 -2213.335 -2213.335 -3383.3135 3383.3135 2420 0.013015059 -2213.3358 -2213.3358 -3383.3866 3383.3866 2430 0.0019847284 -2213.3366 -2213.3366 -3383.5298 3383.5298 2440 0.00069314118 -2213.3368 -2213.3368 -3383.4058 3383.4058 2450 0.00039868033 -2213.3369 -2213.3369 -3383.4227 3383.4227 2460 0.0032093345 -2213.3371 -2213.3371 -3383.4223 3383.4223 2470 0.00011112402 -2213.3373 -2213.3373 -3383.3953 3383.3953 2480 0.00012131363 -2213.3373 -2213.3373 -3383.3952 3383.3952 2483 0.00022347011 -2213.3373 -2213.3373 -3383.3988 3383.3988 Loop time of 0.131515 on 1 procs for 133 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30695675 -2213.3373403 -2213.33734322 Force two-norm initial, final = 0.481256 0.00731288 Force max component initial, final = 0.0519309 0.000413147 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 133 133 Pair time (%) = 0.117257 (89.1587) Neigh time (%) = 0 (0) Comm time (%) = 0.00104475 (0.794396) Outpt time (%) = 0.00086236 (0.655712) Other time (%) = 0.0123508 (9.39117) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2483 0 -2213.3373 -2213.3373 -3383.4003 3383.4003 2484 3.4867886e-08 -2213.3373 -2213.3373 -3383.4003 3383.4003 Loop time of 0.00212216 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734322 -2213.33734322 -2213.33734322 Force two-norm initial, final = 0.00731288 0.00731288 Force max component initial, final = 0.000413147 0.000413147 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185204 (87.2711) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.808898) Outpt time (%) = 0 (0) Other time (%) = 0.000252962 (11.92) 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: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.2979 -2213.2979 -3388.9906 3388.9906 2410 0.0084426292 -2213.2984 -2213.2984 -3388.8185 3388.8185 2420 0.081328009 -2213.3023 -2213.3023 -3387.1176 3387.1176 2430 0.24516946 -2213.3167 -2213.3167 -3383.3619 3383.3619 2440 0.0001970472 -2213.3262 -2213.3262 -3384.3365 3384.3365 2450 0.022161359 -2213.3274 -2213.3274 -3384.0357 3384.0357 2460 0.092932386 -2213.3332 -2213.3332 -3383.2719 3383.2719 2470 0.017749629 -2213.3343 -2213.3343 -3383.5681 3383.5681 2480 0.006285779 -2213.335 -2213.335 -3383.5937 3383.5937 2490 0.0013477037 -2213.3364 -2213.3364 -3383.531 3383.531 2500 0.00074640899 -2213.3366 -2213.3366 -3383.4908 3383.4908 2510 0.0069466584 -2213.337 -2213.337 -3383.3727 3383.3727 2520 1.1582236e-05 -2213.3373 -2213.3373 -3383.4123 3383.4123 2530 0.00028595594 -2213.3373 -2213.3373 -3383.3985 3383.3985 2531 0.00036222837 -2213.3373 -2213.3373 -3383.3974 3383.3974 Loop time of 0.129197 on 1 procs for 131 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29785893 -2213.33731375 -2213.33731861 Force two-norm initial, final = 0.327326 0.00916833 Force max component initial, final = 0.0334636 0.000647996 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 131 131 Pair time (%) = 0.115847 (89.6667) Neigh time (%) = 0 (0) Comm time (%) = 0.00104117 (0.805882) Outpt time (%) = 0.000868559 (0.672275) Other time (%) = 0.0114405 (8.8551) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2531 0 -2213.3373 -2213.3373 -3383.3999 3383.3999 2532 5.4806097e-08 -2213.3373 -2213.3373 -3383.3999 3383.3999 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 = -2213.33731861 -2213.33731861 -2213.33731861 Force two-norm initial, final = 0.00916833 0.00916833 Force max component initial, final = 0.000647996 0.000647996 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185394 (88.3636) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.761364) Outpt time (%) = 0 (0) Other time (%) = 0.000228167 (10.875) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2450 0 -2213.3247 -2213.3247 -3387.0849 3387.0849 2460 0.0049596763 -2213.325 -2213.325 -3386.6872 3386.6872 2470 0.031715834 -2213.3265 -2213.3265 -3383.6498 3383.6498 2480 0.074223011 -2213.3307 -2213.3307 -3385.9367 3385.9367 2490 5.3445439e-05 -2213.3338 -2213.3338 -3384.321 3384.321 2500 0.0069493572 -2213.3342 -2213.3342 -3383.4163 3383.4163 2510 0.00079430913 -2213.3351 -2213.3351 -3383.7825 3383.7825 2520 0.011755342 -2213.3358 -2213.3358 -3383.5796 3383.5796 2530 8.7651953e-06 -2213.3366 -2213.3366 -3383.4937 3383.4937 2540 0.001440869 -2213.3367 -2213.3367 -3383.453 3383.453 2550 0.0082196325 -2213.3372 -2213.3372 -3383.3357 3383.3357 2560 2.4389082e-05 -2213.3373 -2213.3373 -3383.4025 3383.4025 2562 6.0229749e-05 -2213.3373 -2213.3373 -3383.4033 3383.4033 Loop time of 0.111822 on 1 procs for 112 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32469281 -2213.33730392 -2213.33730494 Force two-norm initial, final = 0.25484 0.00990833 Force max component initial, final = 0.0303204 0.000634633 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 112 112 Pair time (%) = 0.0995336 (89.0106) Neigh time (%) = 0 (0) Comm time (%) = 0.000911474 (0.815111) Outpt time (%) = 0.00074625 (0.667355) Other time (%) = 0.0106308 (9.50693) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2562 0 -2213.3373 -2213.3373 -3383.4037 3383.4037 2563 6.4010272e-08 -2213.3373 -2213.3373 -3383.4037 3383.4037 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 = -2213.33730494 -2213.33730494 -2213.33730494 Force two-norm initial, final = 0.00990833 0.00990833 Force max component initial, final = 0.000634633 0.000634633 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184512 (86.9942) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.809353) Outpt time (%) = 0 (0) Other time (%) = 0.000258684 (12.1965) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.2993 -2213.2993 -3391.0301 3391.0301 2410 0.018733302 -2213.3004 -2213.3004 -3390.2773 3390.2773 2420 0.10268915 -2213.3057 -2213.3057 -3384.3549 3384.3549 2430 0.26376759 -2213.3202 -2213.3202 -3386.1706 3386.1706 2440 0.00042950617 -2213.329 -2213.329 -3385.6878 3385.6878 2450 0.0210244 -2213.3304 -2213.3304 -3382.8805 3382.8805 2460 0.00061661433 -2213.3344 -2213.3344 -3383.2526 3383.2526 2470 0.023277693 -2213.3354 -2213.3354 -3383.2371 3383.2371 2480 0.0056987773 -2213.3358 -2213.3358 -3383.6519 3383.6519 2490 0.0087292337 -2213.3367 -2213.3367 -3383.4883 3383.4883 2500 0.00073696799 -2213.3368 -2213.3368 -3383.4502 3383.4502 2510 0.0057869684 -2213.3371 -2213.3371 -3383.3831 3383.3831 2520 3.8643816e-05 -2213.3373 -2213.3373 -3383.4028 3383.4028 2523 0.00011095915 -2213.3373 -2213.3373 -3383.4011 3383.4011 Loop time of 0.124337 on 1 procs for 123 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29931474 -2213.33732022 -2213.33732144 Force two-norm initial, final = 0.498682 0.00912885 Force max component initial, final = 0.0454501 0.000582994 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 123 123 Pair time (%) = 0.108481 (87.2477) Neigh time (%) = 0 (0) Comm time (%) = 0.000993967 (0.799414) Outpt time (%) = 0.000795841 (0.640068) Other time (%) = 0.014066 (11.3128) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2523 0 -2213.3373 -2213.3373 -3383.4019 3383.4019 2524 5.4335206e-08 -2213.3373 -2213.3373 -3383.4019 3383.4019 Loop time of 0.00216508 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732144 -2213.33732144 -2213.33732144 Force two-norm initial, final = 0.00912885 0.00912885 Force max component initial, final = 0.000582994 0.000582994 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185728 (85.7835) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.737804) Outpt time (%) = 0 (0) Other time (%) = 0.000291824 (13.4787) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2450 0 -2213.2814 -2213.2814 -3378.0783 3378.0783 2460 0.037242125 -2213.2836 -2213.2836 -3379.6885 3379.6885 2470 0.16563735 -2213.2928 -2213.2928 -3390.8128 3390.8128 2480 0.37303416 -2213.31 -2213.31 -3375.5365 3375.5365 2490 0.1766799 -2213.3326 -2213.3326 -3382.669 3382.669 2500 0.024395431 -2213.3331 -2213.3331 -3382.9616 3382.9616 2510 0.011169354 -2213.3346 -2213.3346 -3383.5642 3383.5642 2520 0.0042651717 -2213.3349 -2213.3349 -3383.174 3383.174 2530 0.013249997 -2213.3356 -2213.3356 -3383.3959 3383.3959 2540 0.011354294 -2213.3366 -2213.3366 -3383.4448 3383.4448 2550 0.0017861798 -2213.3367 -2213.3367 -3383.5282 3383.5282 2560 0.0063448218 -2213.337 -2213.337 -3383.1302 3383.1302 2570 0.00021502392 -2213.3371 -2213.3371 -3383.2087 3383.2087 2580 3.5939442e-05 -2213.3372 -2213.3372 -3383.4895 3383.4895 2590 0.0003655778 -2213.3372 -2213.3372 -3383.3583 3383.3583 2600 0.0020506319 -2213.3373 -2213.3373 -3383.2734 3383.2734 2610 5.0459237e-05 -2213.3374 -2213.3374 -3383.3241 3383.3241 2612 0.0001121807 -2213.3374 -2213.3374 -3383.3616 3383.3616 Loop time of 0.161647 on 1 procs for 162 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28141777 -2213.33736896 -2213.33737048 Force two-norm initial, final = 0.70445 0.0088213 Force max component initial, final = 0.0836465 0.000662398 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 162 162 Pair time (%) = 0.143495 (88.7704) Neigh time (%) = 0 (0) Comm time (%) = 0.00131202 (0.811657) Outpt time (%) = 0.00108552 (0.671538) Other time (%) = 0.0157547 (9.74637) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2612 0 -2213.3374 -2213.3374 -3383.3623 3383.3623 2613 5.0735706e-08 -2213.3374 -2213.3374 -3383.3623 3383.3623 Loop time of 0.00220108 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737048 -2213.33737048 -2213.33737048 Force two-norm initial, final = 0.0088213 0.0088213 Force max component initial, final = 0.000662398 0.000662398 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (84.0013) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.769064) Outpt time (%) = 0 (0) Other time (%) = 0.000335217 (15.2296) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2500 0 -2213.3154 -2213.3154 -3385.0974 3385.0974 2510 0.017573024 -2213.3164 -2213.3164 -3385.0982 3385.0982 2520 0.12574863 -2213.3232 -2213.3232 -3384.6547 3384.6547 2530 0.17507537 -2213.3317 -2213.3317 -3379.4097 3379.4097 2540 0.12429828 -2213.3335 -2213.3335 -3384.2829 3384.2829 2550 0.030224501 -2213.3349 -2213.3349 -3383.9206 3383.9206 2560 0.015081035 -2213.3366 -2213.3366 -3383.189 3383.189 2570 0.00073241862 -2213.3369 -2213.3369 -3383.3803 3383.3803 2580 0.004085094 -2213.3371 -2213.3371 -3383.5974 3383.5974 2590 0.00081068422 -2213.3373 -2213.3373 -3383.196 3383.196 2600 0.00035344507 -2213.3373 -2213.3373 -3383.2828 3383.2828 2610 0.0011352273 -2213.3374 -2213.3374 -3383.4253 3383.4253 2613 5.7728381e-05 -2213.3374 -2213.3374 -3383.4281 3383.4281 Loop time of 0.112167 on 1 procs for 113 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31535033 -2213.33737258 -2213.33737396 Force two-norm initial, final = 0.476573 0.00984518 Force max component initial, final = 0.0601496 0.000790601 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 113 113 Pair time (%) = 0.0998375 (89.0078) Neigh time (%) = 0 (0) Comm time (%) = 0.00090003 (0.802401) Outpt time (%) = 0.000737906 (0.657863) Other time (%) = 0.0106916 (9.53189) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2613 0 -2213.3374 -2213.3374 -3383.4285 3383.4285 2614 6.3196938e-08 -2213.3374 -2213.3374 -3383.4285 3383.4285 Loop time of 0.00211811 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737396 -2213.33737396 -2213.33737396 Force two-norm initial, final = 0.00984518 0.00984518 Force max component initial, final = 0.000790601 0.000790601 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (87.3931) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.787933) Outpt time (%) = 0 (0) Other time (%) = 0.00025034 (11.819) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.2673 -2213.2673 -3394.1584 3394.1584 2560 0.021230572 -2213.2686 -2213.2686 -3393.6611 3393.6611 2570 0.14723632 -2213.2765 -2213.2765 -3389.5842 3389.5842 2580 0.51396874 -2213.3028 -2213.3028 -3384.1329 3384.1329 2590 0.19198739 -2213.3318 -2213.3318 -3381.9849 3381.9849 2600 0.014953253 -2213.3329 -2213.3329 -3383.9911 3383.9911 2610 0.0052310906 -2213.334 -2213.334 -3384.338 3384.338 2620 0.010197862 -2213.336 -2213.336 -3383.244 3383.244 2630 0.0014216412 -2213.3361 -2213.3361 -3383.6151 3383.6151 2640 0.0048635818 -2213.3364 -2213.3364 -3383.3673 3383.3673 2650 0.0030098393 -2213.3369 -2213.3369 -3383.289 3383.289 2660 0.00066539485 -2213.337 -2213.337 -3383.4352 3383.4352 2670 0.0023954343 -2213.3371 -2213.3371 -3383.4759 3383.4759 2680 2.8683453e-05 -2213.3373 -2213.3373 -3383.4441 3383.4441 2690 0.00027962468 -2213.3373 -2213.3373 -3383.3693 3383.3693 2700 2.8681736e-05 -2213.3373 -2213.3373 -3383.3902 3383.3902 2702 9.0147303e-05 -2213.3373 -2213.3373 -3383.3976 3383.3976 Loop time of 0.150417 on 1 procs for 152 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2673136 -2213.33733976 -2213.33734118 Force two-norm initial, final = 0.525238 0.00771307 Force max component initial, final = 0.0927077 0.0005535 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 152 152 Pair time (%) = 0.134463 (89.3935) Neigh time (%) = 0 (0) Comm time (%) = 0.00121069 (0.804888) Outpt time (%) = 0.0010035 (0.667147) Other time (%) = 0.0137398 (9.13448) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2702 0 -2213.3373 -2213.3373 -3383.3982 3383.3982 2703 3.8788514e-08 -2213.3373 -2213.3373 -3383.3982 3383.3982 Loop time of 0.00210595 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734118 -2213.33734118 -2213.33734118 Force two-norm initial, final = 0.00771307 0.00771307 Force max component initial, final = 0.0005535 0.0005535 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (87.8977) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.803804) Outpt time (%) = 0 (0) Other time (%) = 0.000237942 (11.2985) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.2972 -2213.2972 -3381.3696 3381.3696 2610 0.045315352 -2213.2998 -2213.2998 -3382.1329 3382.1329 2620 0.25782925 -2213.3137 -2213.3137 -3386.8619 3386.8619 2630 0.24678884 -2213.3236 -2213.3236 -3373.8317 3373.8317 2640 0.00062209718 -2213.331 -2213.331 -3380.8968 3380.8968 2650 0.021424465 -2213.3326 -2213.3326 -3384.5444 3384.5444 2660 0.006715864 -2213.3342 -2213.3342 -3383.1949 3383.1949 2670 0.023880222 -2213.3352 -2213.3352 -3382.9276 3382.9276 2680 3.613163e-05 -2213.3363 -2213.3363 -3383.3789 3383.3789 2690 0.0019911393 -2213.3364 -2213.3364 -3383.4242 3383.4242 2700 0.010237799 -2213.3369 -2213.3369 -3383.3437 3383.3437 2710 0.00017477097 -2213.3373 -2213.3373 -3383.3899 3383.3899 2720 0.00076473221 -2213.3373 -2213.3373 -3383.4177 3383.4177 2728 0.00021292407 -2213.3373 -2213.3373 -3383.4086 3383.4086 Loop time of 0.127284 on 1 procs for 128 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29716109 -2213.33734486 -2213.3373473 Force two-norm initial, final = 0.771583 0.00712557 Force max component initial, final = 0.100529 0.000491577 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 128 128 Pair time (%) = 0.113377 (89.0742) Neigh time (%) = 0 (0) Comm time (%) = 0.00101042 (0.793831) Outpt time (%) = 0.000799179 (0.627872) Other time (%) = 0.0120971 (9.50405) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2728 0 -2213.3373 -2213.3373 -3383.41 3383.41 2729 3.3104558e-08 -2213.3373 -2213.3373 -3383.41 3383.41 Loop time of 0.00212121 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373473 -2213.3373473 -2213.3373473 Force two-norm initial, final = 0.00712557 0.00712557 Force max component initial, final = 0.000491577 0.000491577 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (87.1755) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.753063) Outpt time (%) = 0 (0) Other time (%) = 0.000256062 (12.0715) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2500 0 -2213.2185 -2213.2185 -3391.4696 3391.4696 2510 0.038705924 -2213.2208 -2213.2208 -3391.5357 3391.5357 2520 0.3068273 -2213.2365 -2213.2365 -3391.4196 3391.4196 2530 0.77012137 -2213.2786 -2213.2786 -3384.5112 3384.5112 2540 0.20976304 -2213.328 -2213.328 -3381.5925 3381.5925 2550 6.862411e-05 -2213.3297 -2213.3297 -3383.6705 3383.6705 2560 0.0099273358 -2213.3303 -2213.3303 -3383.8112 3383.8112 2570 0.055588137 -2213.3335 -2213.3335 -3383.4674 3383.4674 2580 2.0964003e-05 -2213.3366 -2213.3366 -3383.399 3383.399 2590 0.0025245334 -2213.3367 -2213.3367 -3383.4334 3383.4334 2600 0.00018028555 -2213.3372 -2213.3372 -3383.3809 3383.3809 2610 0.00022049185 -2213.3372 -2213.3372 -3383.4228 3383.4228 2620 0.0012250191 -2213.3373 -2213.3373 -3383.4262 3383.4262 2630 4.0521589e-06 -2213.3373 -2213.3373 -3383.4063 3383.4063 2640 0.00015160998 -2213.3373 -2213.3373 -3383.3931 3383.3931 2643 0.00026686858 -2213.3373 -2213.3373 -3383.3977 3383.3977 Loop time of 0.141369 on 1 procs for 143 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.21848619 -2213.33733565 -2213.33733897 Force two-norm initial, final = 0.704411 0.00767444 Force max component initial, final = 0.106027 0.000537181 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 143 143 Pair time (%) = 0.126051 (89.1644) Neigh time (%) = 0 (0) Comm time (%) = 0.001158 (0.819133) Outpt time (%) = 0.000935555 (0.661783) Other time (%) = 0.0132246 (9.35468) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2643 0 -2213.3373 -2213.3373 -3383.3995 3383.3995 2644 3.8401014e-08 -2213.3373 -2213.3373 -3383.3995 3383.3995 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 = -2213.33733897 -2213.33733897 -2213.33733897 Force two-norm initial, final = 0.00767444 0.00767444 Force max component initial, final = 0.000537181 0.000537181 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185204 (87.7344) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.722837) Outpt time (%) = 0 (0) Other time (%) = 0.000243664 (11.5428) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.2662 -2213.2662 -3391.6073 3391.6073 2560 0.0096248857 -2213.2668 -2213.2668 -3391.4146 3391.4146 2570 0.11661273 -2213.2724 -2213.2724 -3389.5875 3389.5875 2580 0.4483206 -2213.2996 -2213.2996 -3385.5804 3385.5804 2590 0.020122509 -2213.3307 -2213.3307 -3383.371 3383.371 2600 4.4997539e-05 -2213.3315 -2213.3315 -3383.6991 3383.6991 2610 0.0065563249 -2213.3319 -2213.3319 -3383.6135 3383.6135 2620 0.041575094 -2213.3343 -2213.3343 -3383.4239 3383.4239 2630 1.8146689e-05 -2213.3367 -2213.3367 -3383.4563 3383.4563 2640 0.0016942734 -2213.3368 -2213.3368 -3383.5049 3383.5049 2650 0.0087667544 -2213.3373 -2213.3373 -3383.3391 3383.3391 2660 0.0019701006 -2213.3373 -2213.3373 -3383.3724 3383.3724 2666 9.6124952e-06 -2213.3374 -2213.3374 -3383.3649 3383.3649 Loop time of 0.115469 on 1 procs for 116 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26622677 -2213.33735039 -2213.33735058 Force two-norm initial, final = 0.345064 0.00910498 Force max component initial, final = 0.0373437 0.000780457 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 116 116 Pair time (%) = 0.102919 (89.1316) Neigh time (%) = 0 (0) Comm time (%) = 0.000929594 (0.80506) Outpt time (%) = 0.000742912 (0.643387) Other time (%) = 0.0108771 (9.41996) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2666 0 -2213.3374 -2213.3374 -3383.365 3383.365 2667 5.4051446e-08 -2213.3374 -2213.3374 -3383.365 3383.365 Loop time of 0.00212598 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735058 -2213.33735058 -2213.33735058 Force two-norm initial, final = 0.00910498 0.00910498 Force max component initial, final = 0.000780457 0.000780457 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184989 (87.0136) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.706516) Outpt time (%) = 0 (0) Other time (%) = 0.000261068 (12.2799) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.2668 -2213.2668 -3391.8369 3391.8369 2610 0.014403887 -2213.2677 -2213.2677 -3391.5436 3391.5436 2620 0.12394366 -2213.2737 -2213.2737 -3389.0496 3389.0496 2630 0.43469087 -2213.2998 -2213.2998 -3386.0449 3386.0449 2640 0.053204418 -2213.3306 -2213.3306 -3382.8974 3382.8974 2650 0.014971974 -2213.3315 -2213.3315 -3383.7526 3383.7526 2660 0.070565493 -2213.3352 -2213.3352 -3383.5959 3383.5959 2670 0.02088313 -2213.3366 -2213.3366 -3383.5236 3383.5236 2680 0.00028862529 -2213.337 -2213.337 -3383.4365 3383.4365 2690 0.0020119834 -2213.3371 -2213.3371 -3383.4892 3383.4892 2700 0.00033080693 -2213.3373 -2213.3373 -3383.2236 3383.2236 2709 0.00049611693 -2213.3374 -2213.3374 -3383.3444 3383.3444 Loop time of 0.109117 on 1 procs for 109 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26682443 -2213.33735344 -2213.3373567 Force two-norm initial, final = 0.430468 0.00831366 Force max component initial, final = 0.0352718 0.000765058 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 109 109 Pair time (%) = 0.0967703 (88.6849) Neigh time (%) = 0 (0) Comm time (%) = 0.000892878 (0.818275) Outpt time (%) = 0.000677109 (0.620534) Other time (%) = 0.0107768 (9.87633) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2709 0 -2213.3374 -2213.3374 -3383.3479 3383.3479 2710 4.5064394e-08 -2213.3374 -2213.3374 -3383.3479 3383.3479 Loop time of 0.00225496 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373567 -2213.3373567 -2213.3373567 Force two-norm initial, final = 0.00831366 0.00831366 Force max component initial, final = 0.000765058 0.000765058 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198317 (87.9467) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.750687) Outpt time (%) = 0 (0) Other time (%) = 0.000254869 (11.3026) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.3 -2213.3 -3387.6226 3387.6226 2560 0.021928567 -2213.3013 -2213.3013 -3387.4903 3387.4903 2570 0.15529049 -2213.3096 -2213.3096 -3386.0418 3386.0418 2580 0.37017857 -2213.3285 -2213.3285 -3381.6262 3381.6262 2590 0.24536321 -2213.3291 -2213.3291 -3380.7244 3380.7244 2600 0.047107757 -2213.3329 -2213.3329 -3382.9619 3382.9619 2610 0.0050505127 -2213.3365 -2213.3365 -3383.2007 3383.2007 2620 0.00016882305 -2213.337 -2213.337 -3383.009 3383.009 2630 0.00021013506 -2213.3371 -2213.3371 -3383.4755 3383.4755 2640 0.0008133154 -2213.3372 -2213.3372 -3383.2271 3383.2271 2650 0.0001682763 -2213.3373 -2213.3373 -3383.2547 3383.2547 2660 6.463429e-05 -2213.3373 -2213.3373 -3383.4166 3383.4166 2670 0.00035425917 -2213.3373 -2213.3373 -3383.4314 3383.4314 2680 0.0007774323 -2213.3374 -2213.3374 -3383.4153 3383.4153 2687 0.0002260649 -2213.3374 -2213.3374 -3383.3872 3383.3872 Loop time of 0.135642 on 1 procs for 137 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29999413 -2213.33738396 -2213.3373849 Force two-norm initial, final = 0.532617 0.00240984 Force max component initial, final = 0.0661111 0.000210419 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 137 137 Pair time (%) = 0.120646 (88.944) Neigh time (%) = 0 (0) Comm time (%) = 0.00110698 (0.816102) Outpt time (%) = 0.000871181 (0.642265) Other time (%) = 0.0130184 (9.59759) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2687 0 -2213.3374 -2213.3374 -3383.3888 3383.3888 2688 3.7863941e-09 -2213.3374 -2213.3374 -3383.3888 3383.3888 Loop time of 0.0021131 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373849 -2213.3373849 -2213.3373849 Force two-norm initial, final = 0.00240984 0.00240984 Force max component initial, final = 0.000210419 0.000210419 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185204 (87.6453) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.857497) Outpt time (%) = 0 (0) Other time (%) = 0.000242949 (11.4972) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.2971 -2213.2971 -3383.0832 3383.0832 2610 0.026711301 -2213.2987 -2213.2987 -3383.1998 3383.1998 2620 0.17872613 -2213.3083 -2213.3083 -3384.3104 3384.3104 2630 0.29216294 -2213.3208 -2213.3208 -3382.9059 3382.9059 2640 0.17152274 -2213.3341 -2213.3341 -3382.8099 3382.8099 2650 0.00010727926 -2213.336 -2213.336 -3383.8358 3383.8358 2660 0.0048611717 -2213.3364 -2213.3364 -3383.4288 3383.4288 2670 0.013957165 -2213.3369 -2213.3369 -3383.4417 3383.4417 2680 0.00069180292 -2213.337 -2213.337 -3383.5594 3383.5594 2690 0.0013629117 -2213.3371 -2213.3371 -3383.2408 3383.2408 2700 0.00080794577 -2213.3372 -2213.3372 -3383.3853 3383.3853 2710 0.0034196705 -2213.3373 -2213.3373 -3383.4444 3383.4444 2720 0.00016531188 -2213.3373 -2213.3373 -3383.4241 3383.4241 2730 0.00043340321 -2213.3373 -2213.3373 -3383.3809 3383.3809 2740 0.00043671154 -2213.3374 -2213.3374 -3383.3907 3383.3907 2750 5.5303864e-05 -2213.3374 -2213.3374 -3383.3947 3383.3947 2755 9.3085976e-05 -2213.3374 -2213.3374 -3383.392 3383.392 Loop time of 0.154318 on 1 procs for 155 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29711701 -2213.33737005 -2213.33737156 Force two-norm initial, final = 0.587493 0.00722083 Force max component initial, final = 0.155851 0.000534424 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 155 155 Pair time (%) = 0.137447 (89.0672) Neigh time (%) = 0 (0) Comm time (%) = 0.00125623 (0.814052) Outpt time (%) = 0.00099802 (0.64673) Other time (%) = 0.014617 (9.47199) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2755 0 -2213.3374 -2213.3374 -3383.3927 3383.3927 2756 3.3995584e-08 -2213.3374 -2213.3374 -3383.3927 3383.3927 Loop time of 0.00212216 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737156 -2213.33737156 -2213.33737156 Force two-norm initial, final = 0.00722083 0.00722083 Force max component initial, final = 0.000534424 0.000534424 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (87.125) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.707786) Outpt time (%) = 0 (0) Other time (%) = 0.000258207 (12.1672) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.2674 -2213.2674 -3388.5439 3388.5439 2660 0.029422713 -2213.2692 -2213.2692 -3388.1233 3388.1233 2670 0.23826406 -2213.2819 -2213.2819 -3385.013 3385.013 2680 0.44135915 -2213.3051 -2213.3051 -3387.2843 3387.2843 2690 0.083231362 -2213.3323 -2213.3323 -3380.9013 3380.9013 2700 0.020457728 -2213.3338 -2213.3338 -3383.6899 3383.6899 2710 0.0047549581 -2213.3349 -2213.3349 -3383.3367 3383.3367 2720 0.015858244 -2213.3357 -2213.3357 -3382.2911 3382.2911 2730 0.00028637779 -2213.336 -2213.336 -3383.5766 3383.5766 2740 0.0030536443 -2213.3362 -2213.3362 -3383.1699 3383.1699 2750 0.00013067807 -2213.3369 -2213.3369 -3383.3154 3383.3154 2760 0.0002403376 -2213.3369 -2213.3369 -3383.4779 3383.4779 2770 0.0021467215 -2213.3371 -2213.3371 -3383.3986 3383.3986 2780 0.0012068061 -2213.3373 -2213.3373 -3383.4572 3383.4572 2788 0.00064752473 -2213.3374 -2213.3374 -3383.3977 3383.3977 Loop time of 0.136843 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26741817 -2213.33735694 -2213.33735985 Force two-norm initial, final = 0.613243 0.00594813 Force max component initial, final = 0.0841646 0.000410054 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.122091 (89.2198) Neigh time (%) = 0 (0) Comm time (%) = 0.00111485 (0.814689) Outpt time (%) = 0.000867367 (0.633841) Other time (%) = 0.0127697 (9.33164) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2788 0 -2213.3374 -2213.3374 -3383.4022 3383.4022 2789 2.3067999e-08 -2213.3374 -2213.3374 -3383.4022 3383.4022 Loop time of 0.00211191 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735985 -2213.33735985 -2213.33735985 Force two-norm initial, final = 0.00594813 0.00594813 Force max component initial, final = 0.000410054 0.000410054 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (87.5593) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.812825) Outpt time (%) = 0 (0) Other time (%) = 0.000245571 (11.6279) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.3129 -2213.3129 -3385.0411 3385.0411 2610 0.024012459 -2213.3143 -2213.3143 -3385.0428 3385.0428 2620 0.1560188 -2213.3226 -2213.3226 -3384.6054 3384.6054 2630 0.17845567 -2213.3296 -2213.3296 -3381.431 3381.431 2640 0.055799882 -2213.3331 -2213.3331 -3382.2834 3382.2834 2650 0.013796258 -2213.334 -2213.334 -3384.1597 3384.1597 2660 0.059102094 -2213.336 -2213.336 -3383.1694 3383.1694 2670 0.0037539485 -2213.3362 -2213.3362 -3382.8883 3382.8883 2680 0.00049010295 -2213.3365 -2213.3365 -3383.662 3383.662 2690 0.0022027486 -2213.3366 -2213.3366 -3383.2734 3383.2734 2700 0.009355136 -2213.337 -2213.337 -3382.8801 3382.8801 2710 0.0011540265 -2213.3373 -2213.3373 -3383.2751 3383.2751 2720 7.9064641e-05 -2213.3373 -2213.3373 -3383.4395 3383.4395 2730 0.00034270793 -2213.3373 -2213.3373 -3383.3897 3383.3897 Loop time of 0.130639 on 1 procs for 130 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31286579 -2213.33732883 -2213.33733305 Force two-norm initial, final = 0.558311 0.00978883 Force max component initial, final = 0.0508449 0.000698887 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 130 130 Pair time (%) = 0.114748 (87.8364) Neigh time (%) = 0 (0) Comm time (%) = 0.00104308 (0.798447) Outpt time (%) = 0.000797987 (0.610834) Other time (%) = 0.0140493 (10.7543) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2730 0 -2213.3373 -2213.3373 -3383.392 3383.392 2731 6.2475607e-08 -2213.3373 -2213.3373 -3383.392 3383.392 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 = -2213.33733305 -2213.33733305 -2213.33733305 Force two-norm initial, final = 0.00978883 0.00978883 Force max component initial, final = 0.000698887 0.000698887 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185299 (86.5865) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.735294) Outpt time (%) = 0 (0) Other time (%) = 0.00027132 (12.6783) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.2666 -2213.2666 -3392.0158 3392.0158 2660 0.011474406 -2213.2673 -2213.2673 -3391.7497 3391.7497 2670 0.10295297 -2213.2728 -2213.2728 -3389.5534 3389.5534 2680 0.53473073 -2213.3008 -2213.3008 -3384.884 3384.884 2690 0.10162293 -2213.3324 -2213.3324 -3381.969 3381.969 2700 0.00015196268 -2213.3329 -2213.3329 -3383.9723 3383.9723 2710 0.0093554635 -2213.3335 -2213.3335 -3383.2729 3383.2729 2720 0.034363237 -2213.3351 -2213.3351 -3383.7761 3383.7761 2730 0.00025311486 -2213.336 -2213.336 -3383.6421 3383.6421 2740 0.0032605926 -2213.3362 -2213.3362 -3383.3804 3383.3804 2750 0.018372607 -2213.3371 -2213.3371 -3383.1258 3383.1258 2760 0.00083597039 -2213.3373 -2213.3373 -3383.3835 3383.3835 2770 0.00019239661 -2213.3373 -2213.3373 -3383.4435 3383.4435 2780 0.00063477799 -2213.3373 -2213.3373 -3383.4021 3383.4021 2789 8.5905646e-05 -2213.3373 -2213.3373 -3383.3926 3383.3926 Loop time of 0.139723 on 1 procs for 139 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26663662 -2213.33734105 -2213.33734249 Force two-norm initial, final = 0.382699 0.00814832 Force max component initial, final = 0.0337523 0.000611296 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 139 139 Pair time (%) = 0.122969 (88.0094) Neigh time (%) = 0 (0) Comm time (%) = 0.00111747 (0.799775) Outpt time (%) = 0.000871658 (0.623848) Other time (%) = 0.0147645 (10.567) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2789 0 -2213.3373 -2213.3373 -3383.3932 3383.3932 2790 4.3289701e-08 -2213.3373 -2213.3373 -3383.3932 3383.3932 Loop time of 0.00236702 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734249 -2213.33734249 -2213.33734249 Force two-norm initial, final = 0.00814832 0.00814832 Force max component initial, final = 0.000611296 0.000611296 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00199413 (84.2466) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.674859) Outpt time (%) = 0 (0) Other time (%) = 0.000356913 (15.0786) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.3094 -2213.3094 -3387.1922 3387.1922 2710 0.0085597116 -2213.3099 -2213.3099 -3386.9684 3386.9684 2720 0.080153038 -2213.3141 -2213.3141 -3385.0813 3385.0813 2730 0.23945081 -2213.3265 -2213.3265 -3382.4117 3382.4117 2740 0.024467383 -2213.3318 -2213.3318 -3384.5894 3384.5894 2750 0.0020719009 -2213.3348 -2213.3348 -3385.4194 3385.4194 2760 0.0065729328 -2213.3358 -2213.3358 -3383.1408 3383.1408 2770 0.001094628 -2213.336 -2213.336 -3383.7208 3383.7208 2780 0.007423536 -2213.3364 -2213.3364 -3383.4453 3383.4453 2790 0.00086693863 -2213.3371 -2213.3371 -3384.4478 3384.4478 2800 0.0013914678 -2213.3373 -2213.3373 -3383.5232 3383.5232 2810 0.00017121774 -2213.3373 -2213.3373 -3383.4228 3383.4228 2820 0.00066348549 -2213.3373 -2213.3373 -3383.4943 3383.4943 2822 0.0008368768 -2213.3374 -2213.3374 -3383.4421 3383.4421 Loop time of 0.124904 on 1 procs for 122 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30941025 -2213.33734449 -2213.33735239 Force two-norm initial, final = 0.328645 0.00830224 Force max component initial, final = 0.0555676 0.000661061 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 122 122 Pair time (%) = 0.110055 (88.1117) Neigh time (%) = 0 (0) Comm time (%) = 0.0010066 (0.805902) Outpt time (%) = 0.00087285 (0.698817) Other time (%) = 0.0129695 (10.3836) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2822 0 -2213.3374 -2213.3374 -3383.4478 3383.4478 2823 4.4940607e-08 -2213.3374 -2213.3374 -3383.4478 3383.4478 Loop time of 0.00220704 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735239 -2213.33735239 -2213.33735239 Force two-norm initial, final = 0.00830224 0.00830224 Force max component initial, final = 0.000661061 0.000661061 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184488 (83.5908) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.734579) Outpt time (%) = 0 (0) Other time (%) = 0.000345945 (15.6746) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.2839 -2213.2839 -3387.3381 3387.3381 2660 0.011839027 -2213.2846 -2213.2846 -3387.3736 3387.3736 2670 0.088700033 -2213.2892 -2213.2892 -3387.3693 3387.3693 2680 0.36427115 -2213.3101 -2213.3101 -3383.4036 3383.4036 2690 0.10534584 -2213.332 -2213.332 -3383.3251 3383.3251 2700 0.014083164 -2213.3329 -2213.3329 -3383.6727 3383.6727 2710 0.0032538307 -2213.3347 -2213.3347 -3382.9293 3382.9293 2720 0.0064724875 -2213.336 -2213.336 -3383.5195 3383.5195 2730 0.00097495039 -2213.3361 -2213.3361 -3383.4566 3383.4566 2740 0.004818855 -2213.3364 -2213.3364 -3383.4817 3383.4817 2750 0.023677686 -2213.3369 -2213.3369 -3383.0483 3383.0483 2760 0.0022853236 -2213.3373 -2213.3373 -3383.4009 3383.4009 2770 0.00016480837 -2213.3373 -2213.3373 -3383.4036 3383.4036 2780 0.00064945216 -2213.3373 -2213.3373 -3383.3904 3383.3904 2783 0.00095890265 -2213.3373 -2213.3373 -3383.3858 3383.3858 Loop time of 0.133418 on 1 procs for 133 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28389721 -2213.33733035 -2213.33734135 Force two-norm initial, final = 0.392792 0.00990066 Force max component initial, final = 0.0302612 0.000635432 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 133 133 Pair time (%) = 0.117426 (88.0139) Neigh time (%) = 0 (0) Comm time (%) = 0.00105119 (0.78789) Outpt time (%) = 0.000871897 (0.653507) Other time (%) = 0.0140686 (10.5448) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2783 0 -2213.3373 -2213.3373 -3383.3923 3383.3923 2784 6.3911167e-08 -2213.3373 -2213.3373 -3383.3923 3383.3923 Loop time of 0.00211287 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734135 -2213.33734135 -2213.33734135 Force two-norm initial, final = 0.00990066 0.00990066 Force max component initial, final = 0.000635432 0.000635432 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186205 (88.1291) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.767321) Outpt time (%) = 0 (0) Other time (%) = 0.000234604 (11.1036) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.2586 -2213.2586 -3391.4332 3391.4332 2710 0.082101662 -2213.2634 -2213.2634 -3390.511 3390.511 2720 0.32814875 -2213.2811 -2213.2811 -3383.6167 3383.6167 2730 0.40142879 -2213.2984 -2213.2984 -3390.2594 3390.2594 2740 0.0012930956 -2213.318 -2213.318 -3388.0956 3388.0956 2750 0.054325127 -2213.3216 -2213.3216 -3383.5104 3383.5104 2760 0.2406098 -2213.3309 -2213.3309 -3381.6804 3381.6804 2770 0.01316281 -2213.3322 -2213.3322 -3384.8502 3384.8502 2780 0.0017772697 -2213.3332 -2213.3332 -3383.1487 3383.1487 2790 0.010195411 -2213.3338 -2213.3338 -3384.078 3384.078 2800 0.039560008 -2213.3358 -2213.3358 -3384.3743 3384.3743 2810 0.0011629948 -2213.337 -2213.337 -3383.6226 3383.6226 2820 0.0001331887 -2213.3371 -2213.3371 -3383.3772 3383.3772 2830 0.0011943374 -2213.3371 -2213.3371 -3383.4371 3383.4371 2840 0.0039737228 -2213.3373 -2213.3373 -3383.1072 3383.1072 2850 0.00026124536 -2213.3374 -2213.3374 -3383.3961 3383.3961 Loop time of 0.148472 on 1 procs for 150 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25858293 -2213.33736825 -2213.33736989 Force two-norm initial, final = 1.04924 0.00543455 Force max component initial, final = 0.121916 0.000526651 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 150 150 Pair time (%) = 0.133126 (89.6643) Neigh time (%) = 0 (0) Comm time (%) = 0.00121188 (0.816235) Outpt time (%) = 0.000938654 (0.632209) Other time (%) = 0.013195 (8.88722) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.3374 -2213.3374 -3383.3979 3383.3979 2851 1.9256458e-08 -2213.3374 -2213.3374 -3383.3979 3383.3979 Loop time of 0.0021081 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736989 -2213.33736989 -2213.33736989 Force two-norm initial, final = 0.00543455 0.00543455 Force max component initial, final = 0.000526651 0.000526651 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185204 (87.8534) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.746437) Outpt time (%) = 0 (0) Other time (%) = 0.000240326 (11.4001) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.2899 -2213.2899 -3391.4876 3391.4876 2760 0.014074974 -2213.2907 -2213.2907 -3391.1106 3391.1106 2770 0.12670339 -2213.2973 -2213.2973 -3388.0414 3388.0414 2780 0.41558642 -2213.3205 -2213.3205 -3385.347 3385.347 2790 0.032035556 -2213.3294 -2213.3294 -3385.593 3385.593 2800 0.019528299 -2213.3326 -2213.3326 -3383.526 3383.526 2810 0.007772179 -2213.333 -2213.333 -3383.9986 3383.9986 2820 0.026417942 -2213.3344 -2213.3344 -3384.1261 3384.1261 2830 6.0513449e-05 -2213.336 -2213.336 -3383.7579 3383.7579 2840 3.2154235e-05 -2213.3361 -2213.3361 -3383.4948 3383.4948 2850 0.0014244056 -2213.3362 -2213.3362 -3383.5232 3383.5232 2860 0.0090372275 -2213.3367 -2213.3367 -3383.3478 3383.3478 2870 7.7543197e-06 -2213.3373 -2213.3373 -3383.3872 3383.3872 2880 9.7489476e-06 -2213.3373 -2213.3373 -3383.4144 3383.4144 2890 0.00019452987 -2213.3373 -2213.3373 -3383.3944 3383.3944 2899 0.00088417604 -2213.3373 -2213.3373 -3383.3863 3383.3863 Loop time of 0.153258 on 1 procs for 149 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28989121 -2213.3373309 -2213.33734027 Force two-norm initial, final = 0.423421 0.00760752 Force max component initial, final = 0.0519814 0.000522813 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 149 149 Pair time (%) = 0.131388 (85.7298) Neigh time (%) = 0 (0) Comm time (%) = 0.00119519 (0.779857) Outpt time (%) = 0.000926495 (0.604533) Other time (%) = 0.0197484 (12.8858) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2899 0 -2213.3373 -2213.3373 -3383.3924 3383.3924 2900 3.773415e-08 -2213.3373 -2213.3373 -3383.3924 3383.3924 Loop time of 0.00244999 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734027 -2213.33734027 -2213.33734027 Force two-norm initial, final = 0.00760752 0.00760752 Force max component initial, final = 0.000522813 0.000522813 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198603 (81.0627) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.62281) Outpt time (%) = 0 (0) Other time (%) = 0.000448704 (18.3145) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.3146 -2213.3146 -3373.9585 3373.9585 2710 0.022235945 -2213.3159 -2213.3159 -3375.6989 3375.6989 2720 0.10016167 -2213.3214 -2213.3214 -3387.8421 3387.8421 2730 0.13921509 -2213.3268 -2213.3268 -3374.0037 3374.0037 2740 0.22213934 -2213.3353 -2213.3353 -3381.2189 3381.2189 2750 4.1113129e-05 -2213.3357 -2213.3357 -3384.1085 3384.1085 2760 0.003321959 -2213.3359 -2213.3359 -3383.4274 3383.4274 2770 0.011586345 -2213.3365 -2213.3365 -3383.8676 3383.8676 2780 9.4651421e-06 -2213.3372 -2213.3372 -3383.433 3383.433 2790 0.00067870001 -2213.3372 -2213.3372 -3383.377 3383.377 2800 0.00011146427 -2213.3373 -2213.3373 -3383.4334 3383.4334 2810 8.2763747e-05 -2213.3373 -2213.3373 -3383.3946 3383.3946 2820 0.00039409013 -2213.3373 -2213.3373 -3383.3694 3383.3694 2828 0.0001624835 -2213.3374 -2213.3374 -3383.398 3383.398 Loop time of 0.128532 on 1 procs for 128 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31461564 -2213.3373654 -2213.33736717 Force two-norm initial, final = 0.54292 0.00554684 Force max component initial, final = 0.068995 0.000517042 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 128 128 Pair time (%) = 0.113008 (87.9218) Neigh time (%) = 0 (0) Comm time (%) = 0.00102115 (0.794469) Outpt time (%) = 0.00079608 (0.619363) Other time (%) = 0.0137072 (10.6644) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2828 0 -2213.3374 -2213.3374 -3383.3991 3383.3991 2829 2.00604e-08 -2213.3374 -2213.3374 -3383.3991 3383.3991 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 = -2213.33736717 -2213.33736717 -2213.33736717 Force two-norm initial, final = 0.00554684 0.00554684 Force max component initial, final = 0.000517042 0.000517042 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (86.6228) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.714047) Outpt time (%) = 0 (0) Other time (%) = 0.000270605 (12.6632) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.2503 -2213.2503 -3383.6852 3383.6852 2760 0.056415708 -2213.2536 -2213.2536 -3384.3678 3384.3678 2770 0.32926221 -2213.2711 -2213.2711 -3388.7213 3388.7213 2780 0.50761211 -2213.2963 -2213.2963 -3378.2813 3378.2813 2790 0.83463839 -2213.3313 -2213.3313 -3375.1945 3375.1945 2800 0.0004959604 -2213.3345 -2213.3345 -3382.7693 3382.7693 2810 0.012032982 -2213.3352 -2213.3352 -3383.689 3383.689 2820 0.00083807003 -2213.3359 -2213.3359 -3383.2896 3383.2896 2830 0.0071682256 -2213.3363 -2213.3363 -3383.5793 3383.5793 2840 0.0048919848 -2213.337 -2213.337 -3383.3815 3383.3815 2850 0.00071114367 -2213.337 -2213.337 -3383.4189 3383.4189 2860 0.0042737671 -2213.3373 -2213.3373 -3383.3888 3383.3888 2865 3.9868086e-05 -2213.3373 -2213.3373 -3383.3836 3383.3836 Loop time of 0.116174 on 1 procs for 115 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.25025365 -2213.33733505 -2213.33733613 Force two-norm initial, final = 0.860195 0.00820684 Force max component initial, final = 0.121135 0.000597253 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 115 115 Pair time (%) = 0.101935 (87.7435) Neigh time (%) = 0 (0) Comm time (%) = 0.000945807 (0.814129) Outpt time (%) = 0.000730038 (0.6284) Other time (%) = 0.012563 (10.8139) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2865 0 -2213.3373 -2213.3373 -3383.3839 3383.3839 2866 4.3913725e-08 -2213.3373 -2213.3373 -3383.3839 3383.3839 Loop time of 0.00214791 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733613 -2213.33733613 -2213.33733613 Force two-norm initial, final = 0.00820684 0.00820684 Force max component initial, final = 0.000597253 0.000597253 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (86.1805) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.699301) Outpt time (%) = 0 (0) Other time (%) = 0.000281811 (13.1202) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.3077 -2213.3077 -3386.6943 3386.6943 2810 0.0085749376 -2213.3082 -2213.3082 -3386.6775 3386.6775 2820 0.074937378 -2213.3122 -2213.3122 -3386.4285 3386.4285 2830 0.2501625 -2213.3258 -2213.3258 -3383.8073 3383.8073 2840 0.039151515 -2213.3349 -2213.3349 -3382.6355 3382.6355 2850 0.011650425 -2213.3355 -2213.3355 -3382.8472 3382.8472 2860 0.0016466882 -2213.3364 -2213.3364 -3383.1897 3383.1897 2870 0.00062511695 -2213.3365 -2213.3365 -3383.207 3383.207 2880 0.0050659513 -2213.3368 -2213.3368 -3383.2167 3383.2167 2890 0.00069357576 -2213.3373 -2213.3373 -3383.5714 3383.5714 2900 7.871773e-07 -2213.3373 -2213.3373 -3383.5234 3383.5234 2910 0.00012447788 -2213.3373 -2213.3373 -3383.4962 3383.4962 2920 0.00045240171 -2213.3374 -2213.3374 -3383.4371 3383.4371 2926 1.4678376e-05 -2213.3374 -2213.3374 -3383.4056 3383.4056 Loop time of 0.127388 on 1 procs for 126 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30765824 -2213.33736497 -2213.33736532 Force two-norm initial, final = 0.32996 0.00539294 Force max component initial, final = 0.063675 0.000387227 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 126 126 Pair time (%) = 0.111656 (87.6505) Neigh time (%) = 0 (0) Comm time (%) = 0.00101948 (0.800293) Outpt time (%) = 0.000802994 (0.630353) Other time (%) = 0.0139093 (10.9189) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2926 0 -2213.3374 -2213.3374 -3383.4057 3383.4057 2927 1.8962692e-08 -2213.3374 -2213.3374 -3383.4057 3383.4057 Loop time of 0.0022409 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736532 -2213.33736532 -2213.33736532 Force two-norm initial, final = 0.00539294 0.00539294 Force max component initial, final = 0.000387227 0.000387227 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (82.5088) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.670284) Outpt time (%) = 0 (0) Other time (%) = 0.00037694 (16.8209) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.3254 -2213.3254 -3384.6164 3384.6164 2760 0.015890016 -2213.3264 -2213.3264 -3384.4924 3384.4924 2770 0.11150408 -2213.3319 -2213.3319 -3383.3643 3383.3643 2780 0.070884376 -2213.3335 -2213.3335 -3383.2155 3383.2155 2790 0.14362569 -2213.3358 -2213.3358 -3382.2172 3382.2172 2800 0.013396375 -2213.3369 -2213.3369 -3383.1707 3383.1707 2810 0.0018843473 -2213.337 -2213.337 -3383.2827 3383.2827 2820 0.0036860052 -2213.3372 -2213.3372 -3383.3384 3383.3384 2830 0.0095811524 -2213.3373 -2213.3373 -3383.1891 3383.1891 2840 9.6806473e-06 -2213.3373 -2213.3373 -3383.4779 3383.4779 2850 0.00020806249 -2213.3374 -2213.3374 -3383.4038 3383.4038 2860 1.3284203e-05 -2213.3374 -2213.3374 -3383.4251 3383.4251 2870 5.5562711e-06 -2213.3374 -2213.3374 -3383.4017 3383.4017 2880 5.481688e-05 -2213.3374 -2213.3374 -3383.4086 3383.4086 2890 0.00017677791 -2213.3374 -2213.3374 -3383.3678 3383.3678 2893 1.7610158e-05 -2213.3374 -2213.3374 -3383.3862 3383.3862 Loop time of 0.142275 on 1 procs for 143 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32544957 -2213.33738715 -2213.33738747 Force two-norm initial, final = 0.452591 0.0021779 Force max component initial, final = 0.0407889 0.000206835 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 143 143 Pair time (%) = 0.125749 (88.3845) Neigh time (%) = 0 (0) Comm time (%) = 0.00113583 (0.798332) Outpt time (%) = 0.000938177 (0.659412) Other time (%) = 0.014452 (10.1578) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2893 0 -2213.3374 -2213.3374 -3383.3863 3383.3863 2894 3.0926175e-09 -2213.3374 -2213.3374 -3383.3863 3383.3863 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 = -2213.33738747 -2213.33738747 -2213.33738747 Force two-norm initial, final = 0.0021779 0.0021779 Force max component initial, final = 0.000206835 0.000206835 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018611 (88.1635) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.768014) Outpt time (%) = 0 (0) Other time (%) = 0.00023365 (11.0684) 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 = 4.12988 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.2914 -2213.2914 -3383.0809 3383.0809 2810 0.019133194 -2213.2925 -2213.2925 -3383.616 3383.616 2820 0.13142856 -2213.2991 -2213.2991 -3387.2942 3387.2942 2830 0.29592156 -2213.3149 -2213.3149 -3381.9314 3381.9314 2840 0.16428124 -2213.3331 -2213.3331 -3382.3131 3382.3131 2850 3.6668199e-05 -2213.3338 -2213.3338 -3383.4267 3383.4267 2860 0.0047952164 -2213.334 -2213.334 -3383.469 3383.469 2870 0.026793574 -2213.3356 -2213.3356 -3383.3972 3383.3972 2880 1.4106479e-05 -2213.337 -2213.337 -3383.5488 3383.5488 2890 0.0012637482 -2213.3371 -2213.3371 -3383.3809 3383.3809 2900 0.00026657808 -2213.3373 -2213.3373 -3383.2971 3383.2971 2910 0.00023192101 -2213.3373 -2213.3373 -3383.4218 3383.4218 2920 6.1942982e-05 -2213.3373 -2213.3373 -3383.3965 3383.3965 2930 0.00044794533 -2213.3373 -2213.3373 -3383.3989 3383.3989 Loop time of 0.129512 on 1 procs for 130 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29142085 -2213.33731149 -2213.33731632 Force two-norm initial, final = 0.498739 0.00937617 Force max component initial, final = 0.0970619 0.00061883 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 130 130 Pair time (%) = 0.115313 (89.0363) Neigh time (%) = 0 (0) Comm time (%) = 0.00105429 (0.814045) Outpt time (%) = 0.000799179 (0.617069) Other time (%) = 0.0123458 (9.53254) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2930 0 -2213.3373 -2213.3373 -3383.402 3383.402 2931 5.7319211e-08 -2213.3373 -2213.3373 -3383.402 3383.402 Loop time of 0.00212193 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33731632 -2213.33731632 -2213.33731632 Force two-norm initial, final = 0.00937617 0.00937617 Force max component initial, final = 0.00061883 0.00061883 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (87.1461) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.808989) Outpt time (%) = 0 (0) Other time (%) = 0.000255585 (12.0449) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.3032 -2213.3032 -3384.6982 3384.6982 2860 0.033135019 -2213.3052 -2213.3052 -3384.6095 3384.6095 2870 0.13879147 -2213.3125 -2213.3125 -3383.7271 3383.7271 2880 0.21425982 -2213.3229 -2213.3229 -3383.9267 3383.9267 2890 0.00056618699 -2213.3295 -2213.3295 -3383.7671 3383.7671 2900 0.019950591 -2213.3309 -2213.3309 -3383.8908 3383.8908 2910 0.10336305 -2213.3347 -2213.3347 -3383.1996 3383.1996 2920 0.013973061 -2213.3355 -2213.3355 -3383.3642 3383.3642 2930 0.0059132857 -2213.3365 -2213.3365 -3383.4796 3383.4796 2940 0.0018706509 -2213.3366 -2213.3366 -3383.3968 3383.3968 2950 0.010829324 -2213.3368 -2213.3368 -3383.1394 3383.1394 2960 0.00012218791 -2213.3372 -2213.3372 -3383.4155 3383.4155 2970 0.0013931146 -2213.3372 -2213.3372 -3383.4057 3383.4057 2980 8.9504513e-05 -2213.3374 -2213.3374 -3383.3907 3383.3907 2982 0.00064427168 -2213.3374 -2213.3374 -3383.3965 3383.3965 Loop time of 0.131934 on 1 procs for 132 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30322143 -2213.33737965 -2213.33738855 Force two-norm initial, final = 0.666257 0.00292406 Force max component initial, final = 0.0846798 0.000240275 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 132 132 Pair time (%) = 0.117321 (88.9242) Neigh time (%) = 0 (0) Comm time (%) = 0.00104952 (0.795488) Outpt time (%) = 0.000876188 (0.664111) Other time (%) = 0.012687 (9.61615) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2982 0 -2213.3374 -2213.3374 -3383.4009 3383.4009 2983 5.5747043e-09 -2213.3374 -2213.3374 -3383.4009 3383.4009 Loop time of 0.00209284 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738855 -2213.33738855 -2213.33738855 Force two-norm initial, final = 0.00292406 0.00292406 Force max component initial, final = 0.000240275 0.000240275 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (88.4028) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.729095) Outpt time (%) = 0 (0) Other time (%) = 0.000227451 (10.8681) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.2993 -2213.2993 -3398.9554 3398.9554 2810 0.014300933 -2213.3001 -2213.3001 -3397.3707 3397.3707 2820 0.085754702 -2213.3046 -2213.3046 -3384.8081 3384.8081 2830 0.2501835 -2213.3186 -2213.3186 -3391.5516 3391.5516 2840 0.078816551 -2213.3337 -2213.3337 -3383.7425 3383.7425 2850 0.017022376 -2213.3341 -2213.3341 -3380.0697 3380.0697 2860 0.0090341944 -2213.3347 -2213.3347 -3383.5507 3383.5507 2870 0.020323396 -2213.3356 -2213.3356 -3380.0988 3380.0988 2880 0.00047902136 -2213.3364 -2213.3364 -3382.5615 3382.5615 2890 0.0021428288 -2213.3366 -2213.3366 -3384.1754 3384.1754 2900 0.0013664899 -2213.3369 -2213.3369 -3383.4107 3383.4107 2910 0.0036660604 -2213.337 -2213.337 -3382.9612 3382.9612 2920 7.6051401e-05 -2213.3372 -2213.3372 -3383.3394 3383.3394 2930 0.0005248383 -2213.3372 -2213.3372 -3383.4585 3383.4585 2940 0.0002103854 -2213.3373 -2213.3373 -3383.4389 3383.4389 2941 0.00030318705 -2213.3373 -2213.3373 -3383.4076 3383.4076 Loop time of 0.139281 on 1 procs for 141 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29925176 -2213.33732341 -2213.33732717 Force two-norm initial, final = 0.434158 0.00893565 Force max component initial, final = 0.0470028 0.000594362 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 141 141 Pair time (%) = 0.124336 (89.2702) Neigh time (%) = 0 (0) Comm time (%) = 0.00112438 (0.807276) Outpt time (%) = 0.000935078 (0.67136) Other time (%) = 0.0128851 (9.25115) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2941 0 -2213.3373 -2213.3373 -3383.4097 3383.4097 2942 5.2059646e-08 -2213.3373 -2213.3373 -3383.4097 3383.4097 Loop time of 0.00212216 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732717 -2213.33732717 -2213.33732717 Force two-norm initial, final = 0.00893565 0.00893565 Force max component initial, final = 0.000594362 0.000594362 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (87.7879) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.853837) Outpt time (%) = 0 (0) Other time (%) = 0.000241041 (11.3583) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.2975 -2213.2975 -3387.9847 3387.9847 2860 0.0055823181 -2213.2978 -2213.2978 -3387.9403 3387.9403 2870 0.061667606 -2213.3009 -2213.3009 -3387.3866 3387.3866 2880 0.28040102 -2213.3169 -2213.3169 -3383.542 3383.542 2890 0.016425309 -2213.3362 -2213.3362 -3381.9879 3381.9879 2900 0.0036740577 -2213.337 -2213.337 -3383.0278 3383.0278 2910 0.00068718826 -2213.3372 -2213.3372 -3383.243 3383.243 2920 1.2210735e-05 -2213.3372 -2213.3372 -3383.1796 3383.1796 2930 0.00062648135 -2213.3373 -2213.3373 -3383.3937 3383.3937 2940 0.00020952687 -2213.3373 -2213.3373 -3383.4007 3383.4007 2950 2.3197768e-06 -2213.3374 -2213.3374 -3383.422 3383.422 2953 3.4134449e-05 -2213.3374 -2213.3374 -3383.3966 3383.3966 Loop time of 0.102542 on 1 procs for 103 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29749871 -2213.33735594 -2213.33735665 Force two-norm initial, final = 0.264156 0.00652339 Force max component initial, final = 0.028943 0.000510343 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 103 103 Pair time (%) = 0.0914626 (89.1953) Neigh time (%) = 0 (0) Comm time (%) = 0.000837803 (0.817034) Outpt time (%) = 0.000663996 (0.647536) Other time (%) = 0.00957751 (9.34009) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2953 0 -2213.3374 -2213.3374 -3383.3968 3383.3968 2954 2.7745659e-08 -2213.3374 -2213.3374 -3383.3968 3383.3968 Loop time of 0.00212383 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735665 -2213.33735665 -2213.33735665 Force two-norm initial, final = 0.00652339 0.00652339 Force max component initial, final = 0.000510343 0.000510343 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184512 (86.877) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.763359) Outpt time (%) = 0 (0) Other time (%) = 0.000262499 (12.3597) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2900 0 -2213.2605 -2213.2605 -3387.5271 3387.5271 2910 0.023532648 -2213.2619 -2213.2619 -3387.715 3387.715 2920 0.21687818 -2213.2733 -2213.2733 -3388.6457 3388.6457 2930 0.52869335 -2213.3017 -2213.3017 -3381.5177 3381.5177 2940 0.11049193 -2213.3284 -2213.3284 -3376.6317 3376.6317 2950 0.045043611 -2213.3359 -2213.3359 -3381.1128 3381.1128 2960 0.0017087296 -2213.3369 -2213.3369 -3383.4991 3383.4991 2970 0.0031564971 -2213.3371 -2213.3371 -3383.4986 3383.4986 2980 0.0039539951 -2213.3373 -2213.3373 -3383.1731 3383.1731 2990 1.1694593e-05 -2213.3374 -2213.3374 -3383.4867 3383.4867 3000 0.00018348334 -2213.3374 -2213.3374 -3383.3741 3383.3741 3003 0.00020248882 -2213.3374 -2213.3374 -3383.3694 3383.3694 Loop time of 0.102841 on 1 procs for 103 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26054891 -2213.33737575 -2213.33737684 Force two-norm initial, final = 0.545811 0.00561559 Force max component initial, final = 0.109345 0.000540844 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 103 103 Pair time (%) = 0.0920005 (89.459) Neigh time (%) = 0 (0) Comm time (%) = 0.000822067 (0.799358) Outpt time (%) = 0.000674963 (0.656318) Other time (%) = 0.00934339 (9.08528) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 3003 0 -2213.3374 -2213.3374 -3383.3708 3383.3708 3004 2.0560756e-08 -2213.3374 -2213.3374 -3383.3708 3383.3708 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 = -2213.33737684 -2213.33737684 -2213.33737684 Force two-norm initial, final = 0.00561559 0.00561559 Force max component initial, final = 0.000540844 0.000540844 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (87.1853) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.809353) Outpt time (%) = 0 (0) Other time (%) = 0.000254631 (12.0054) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.2961 -2213.2961 -3380.1957 3380.1957 2860 0.048892097 -2213.299 -2213.299 -3380.8124 3380.8124 2870 0.18260649 -2213.3089 -2213.3089 -3385.0468 3385.0468 2880 0.22594599 -2213.3193 -2213.3193 -3380.4494 3380.4494 2890 0.00091708291 -2213.3274 -2213.3274 -3383.4338 3383.4338 2900 0.031330615 -2213.3297 -2213.3297 -3384.5608 3384.5608 2910 0.14249658 -2213.3339 -2213.3339 -3382.2378 3382.2378 2920 0.028916293 -2213.3352 -2213.3352 -3383.5586 3383.5586 2930 0.004500852 -2213.3356 -2213.3356 -3383.5761 3383.5761 2940 0.006799684 -2213.3364 -2213.3364 -3383.3971 3383.3971 2950 0.00064331715 -2213.3368 -2213.3368 -3383.4312 3383.4312 2960 0.0051186859 -2213.3371 -2213.3371 -3383.4023 3383.4023 2970 2.8527835e-05 -2213.3373 -2213.3373 -3383.4006 3383.4006 2980 0.0002665594 -2213.3373 -2213.3373 -3383.3936 3383.3936 2981 0.00038318659 -2213.3373 -2213.3373 -3383.3965 3383.3965 Loop time of 0.131982 on 1 procs for 131 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29611812 -2213.33733346 -2213.33733865 Force two-norm initial, final = 0.811616 0.00807336 Force max component initial, final = 0.101858 0.000624444 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 131 131 Pair time (%) = 0.115471 (87.4903) Neigh time (%) = 0 (0) Comm time (%) = 0.00104737 (0.793573) Outpt time (%) = 0.00086832 (0.657909) Other time (%) = 0.0145948 (11.0582) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2981 0 -2213.3373 -2213.3373 -3383.3991 3383.3991 2982 4.2496903e-08 -2213.3373 -2213.3373 -3383.3991 3383.3991 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 = -2213.33733865 -2213.33733865 -2213.33733865 Force two-norm initial, final = 0.00807336 0.00807336 Force max component initial, final = 0.000624444 0.000624444 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018537 (85.8168) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.739514) Outpt time (%) = 0 (0) Other time (%) = 0.000290394 (13.4437) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2900 0 -2213.3079 -2213.3079 -3383.9406 3383.9406 2910 0.0086761425 -2213.3084 -2213.3084 -3384.0733 3384.0733 2920 0.07727389 -2213.3125 -2213.3125 -3385.0182 3385.0182 2930 0.20826819 -2213.3239 -2213.3239 -3382.9613 3382.9613 2940 0.024661288 -2213.3348 -2213.3348 -3383.3869 3383.3869 2950 0.0094889886 -2213.3353 -2213.3353 -3383.5439 3383.5439 2960 0.00016262715 -2213.3366 -2213.3366 -3383.4541 3383.4541 2970 0.00052438096 -2213.3368 -2213.3368 -3383.4401 3383.4401 2980 0.0036855028 -2213.337 -2213.337 -3383.3971 3383.3971 2990 0.00094702197 -2213.3371 -2213.3371 -3383.4245 3383.4245 3000 0.00027191759 -2213.3371 -2213.3371 -3383.4147 3383.4147 3010 2.6868004e-05 -2213.3372 -2213.3372 -3383.4032 3383.4032 3020 3.4326287e-05 -2213.3372 -2213.3372 -3383.4119 3383.4119 3030 0.00046366645 -2213.3373 -2213.3373 -3383.4009 3383.4009 3039 0.0016517416 -2213.3374 -2213.3374 -3383.3868 3383.3868 Loop time of 0.138398 on 1 procs for 139 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30793939 -2213.33735408 -2213.3373668 Force two-norm initial, final = 0.331632 0.00521015 Force max component initial, final = 0.044046 0.000358135 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 139 139 Pair time (%) = 0.123294 (89.0865) Neigh time (%) = 0 (0) Comm time (%) = 0.00112939 (0.816045) Outpt time (%) = 0.000871181 (0.629476) Other time (%) = 0.0131035 (9.46798) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 3039 0 -2213.3374 -2213.3374 -3383.3981 3383.3981 3040 1.7699021e-08 -2213.3374 -2213.3374 -3383.3981 3383.3981 Loop time of 0.00225902 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373668 -2213.3373668 -2213.3373668 Force two-norm initial, final = 0.00521015 0.00521015 Force max component initial, final = 0.000358135 0.000358135 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198412 (87.8311) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.738786) Outpt time (%) = 0 (0) Other time (%) = 0.000258207 (11.4301) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2950 0 -2213.2979 -2213.2979 -3387.412 3387.412 2960 0.028387401 -2213.2996 -2213.2996 -3387.2817 3387.2817 2970 0.14256695 -2213.3072 -2213.3072 -3385.8522 3385.8522 2980 0.26567844 -2213.32 -2213.32 -3381.9087 3381.9087 2990 0.64422957 -2213.3322 -2213.3322 -3379.4801 3379.4801 3000 0.00069254843 -2213.3346 -2213.3346 -3384.3949 3384.3949 3010 0.013278119 -2213.3354 -2213.3354 -3383.4515 3383.4515 3020 0.0012860708 -2213.3364 -2213.3364 -3383.6295 3383.6295 3030 0.00038326977 -2213.3365 -2213.3365 -3383.3199 3383.3199 3040 0.0027352604 -2213.3367 -2213.3367 -3383.5489 3383.5489 3050 0.010506166 -2213.3372 -2213.3372 -3383.4402 3383.4402 3060 0.0003790136 -2213.3373 -2213.3373 -3383.4123 3383.4123 3070 9.7286885e-05 -2213.3373 -2213.3373 -3383.3482 3383.3482 3080 0.00048021413 -2213.3373 -2213.3373 -3383.398 3383.398 Loop time of 0.1292 on 1 procs for 130 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29793187 -2213.33733144 -2213.33733655 Force two-norm initial, final = 0.612798 0.00879314 Force max component initial, final = 0.0619097 0.000782596 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 130 130 Pair time (%) = 0.114885 (88.9202) Neigh time (%) = 0 (0) Comm time (%) = 0.00104713 (0.810476) Outpt time (%) = 0.000799894 (0.619113) Other time (%) = 0.0124681 (9.65023) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 3080 0 -2213.3373 -2213.3373 -3383.4013 3383.4013 3081 5.0412285e-08 -2213.3373 -2213.3373 -3383.4013 3383.4013 Loop time of 0.00211906 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733655 -2213.33733655 -2213.33733655 Force two-norm initial, final = 0.00879314 0.00879314 Force max component initial, final = 0.000782596 0.000782596 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (87.3087) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.753825) Outpt time (%) = 0 (0) Other time (%) = 0.000252962 (11.9374) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 3000 0 -2213.277 -2213.277 -3391.6365 3391.6365 3010 0.03530286 -2213.2791 -2213.2791 -3391.2779 3391.2779 3020 0.15913761 -2213.2876 -2213.2876 -3388.1048 3388.1048 3030 0.37569588 -2213.3063 -2213.3063 -3385.0763 3385.0763 3040 1.0275607 -2213.3322 -2213.3322 -3375.8678 3375.8678 3050 0.0010396951 -2213.3341 -2213.3341 -3383.8493 3383.8493 3060 0.011777798 -2213.3349 -2213.3349 -3382.7379 3382.7379 3070 0.0039130565 -2213.3352 -2213.3352 -3383.1142 3383.1142 3080 0.014196489 -2213.3359 -2213.3359 -3382.9828 3382.9828 3090 0.0021990272 -2213.3366 -2213.3366 -3383.2612 3383.2612 3100 0.001529451 -2213.3369 -2213.3369 -3383.5083 3383.5083 3110 0.00032865941 -2213.3369 -2213.3369 -3383.3875 3383.3875 3120 0.0025721497 -2213.337 -2213.337 -3383.3502 3383.3502 3130 0.00025569874 -2213.3373 -2213.3373 -3383.3815 3383.3815 3135 2.6274736e-05 -2213.3373 -2213.3373 -3383.4255 3383.4255 Loop time of 0.13408 on 1 procs for 135 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27702968 -2213.33732752 -2213.33732812 Force two-norm initial, final = 0.685513 0.00993284 Force max component initial, final = 0.0928461 0.000788965 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 135 135 Pair time (%) = 0.119282 (88.9635) Neigh time (%) = 0 (0) Comm time (%) = 0.00109792 (0.818853) Outpt time (%) = 0.000866413 (0.646191) Other time (%) = 0.0128334 (9.57142) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 3135 0 -2213.3373 -2213.3373 -3383.4257 3383.4257 3136 6.4327384e-08 -2213.3373 -2213.3373 -3383.4257 3383.4257 Loop time of 0.00211 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732812 -2213.33732812 -2213.33732812 Force two-norm initial, final = 0.00993284 0.00993284 Force max component initial, final = 0.000788965 0.000788965 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184989 (87.6723) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.711864) Outpt time (%) = 0 (0) Other time (%) = 0.000245094 (11.6158) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 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 33.69 on 1 procs for 22 steps with 511 atoms TAD stats: NEB time (%) = 12.7309 (37.7882) Dynamics time (%) = 0 (0) Quench time (%) = 0 (0) Comm time (%) = 0 (0) Output time (%) = 0 (0) Other time (%) = 20.9592 (62.2118) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0