LAMMPS (1 Feb 2014) Processor partition = 1 # 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 2.31311 on 1 procs for 1000 steps with 511 atoms Pair time (%) = 2.2278 (96.312) Neigh time (%) = 0.0388269 (1.67856) Comm time (%) = 0.00949049 (0.410292) Outpt time (%) = 0.000833035 (0.0360136) Other time (%) = 0.0361559 (1.56309) 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 0.0568161 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 (%) = 2.28194 (4016.37) Neigh time (%) = 0.0401781 (70.716) Comm time (%) = 0.00995302 (17.518) Outpt time (%) = 0.000968218 (1.70413) Other time (%) = -2.27623 (-4006.31) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 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 -2208.1718 -2208.1718 -3227.0211 3227.0211 1160 9.339049 -2208.7139 -2208.7139 -3303.3738 3303.3738 1170 26.319732 -2210.2079 -2210.2079 -3606.5404 3606.5404 1180 38.754197 -2211.2879 -2211.2879 -3107.5716 3107.5716 1190 131.62115 -2203.5588 -2203.5588 -3474.9592 3474.9592 1200 28.265826 -2208.2422 -2208.2422 -3889.2234 3889.2234 1210 3.3362767 -2208.9504 -2208.9504 -4062.5022 4062.5022 1220 23.534079 -2210.9414 -2210.9414 -3516.7741 3516.7741 1230 6.3960767 -2212.4629 -2212.4629 -3406.7057 3406.7057 1240 1.1288494 -2212.8954 -2212.8954 -3403.0698 3403.0698 1250 4.7297997 -2213.0429 -2213.0429 -3350.834 3350.834 1260 0.055385466 -2213.2538 -2213.2538 -3389.4258 3389.4258 1270 1.1333373 -2213.2784 -2213.2784 -3379.6668 3379.6668 1280 0.0087494567 -2213.2429 -2213.2429 -3389.3408 3389.3408 1290 0.031264789 -2213.2468 -2213.2468 -3388.2541 3388.2541 1300 0.0079481058 -2213.2465 -2213.2465 -3388.2831 3388.2831 1310 0.032898273 -2213.2419 -2213.2419 -3387.7037 3387.7037 1320 3.610966e-05 -2213.2384 -2213.2384 -3388.4585 3388.4585 1330 0.0017151963 -2213.2382 -2213.2382 -3388.557 3388.557 1340 0.0047601944 -2213.2371 -2213.2371 -3388.8899 3388.8899 1350 1.9535421e-05 -2213.2372 -2213.2372 -3388.9806 3388.9806 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 = -2208.17179809 -2213.23721478 -2213.23723131 Force two-norm initial, final = 11.6554 0.00915344 Force max component initial, final = 6.62337 0.00122829 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.181967 (87.8238) Neigh time (%) = 0.00267339 (1.29028) Comm time (%) = 0.00176573 (0.852206) Outpt time (%) = 0.00134373 (0.648532) Other time (%) = 0.0194457 (9.38519) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 4 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1350 0 -2213.2372 -2213.2372 -3388.9807 3388.9807 1360 6.8824211e-06 -2213.2372 -2213.2372 -3388.9809 3388.9809 1365 2.707132e-05 -2213.2373 -2213.2373 -3388.9812 3388.9812 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 = -2213.23723131 -2213.23727741 -2213.23729092 Force two-norm initial, final = 0.00915344 0.00859046 Force max component initial, final = 0.00122829 0.00103979 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 15 15 Pair time (%) = 0.014168 (87.2153) Neigh time (%) = 0 (0) Comm time (%) = 0.000125647 (0.773453) Outpt time (%) = 6.79493e-05 (0.418281) Other time (%) = 0.00188327 (11.593) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 1550 0 -2212.7878 -2212.7878 -3603.9978 3603.9978 1560 0.075253296 -2212.7922 -2212.7922 -3601.278 3601.278 1570 0.35342101 -2212.8118 -2212.8118 -3576.8153 3576.8153 1580 0.2571884 -2212.8169 -2212.8169 -3558.2234 3558.2234 1590 0.8183539 -2212.8189 -2212.8189 -3515.4711 3515.4711 1600 0.00050262247 -2212.8251 -2212.8251 -3529.3534 3529.3534 1610 0.013132104 -2212.8258 -2212.8258 -3530.4154 3530.4154 1620 0.026790179 -2212.827 -2212.827 -3539.0195 3539.0195 1630 0.00030490304 -2212.827 -2212.827 -3540.6051 3540.6051 1640 0.0012944984 -2212.8271 -2212.8271 -3540.2877 3540.2877 1650 0.00029215885 -2212.8272 -2212.8272 -3539.2527 3539.2527 1660 0.00011059079 -2212.8272 -2212.8272 -3539.2752 3539.2752 1670 0.00041107376 -2212.8273 -2212.8273 -3539.3091 3539.3091 1680 0.0012934956 -2212.8273 -2212.8273 -3538.9301 3538.9301 Loop time of 0.131214 on 1 procs for 130 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.78775693 -2212.8272676 -2212.82728753 Force two-norm initial, final = 0.997487 0.00879838 Force max component initial, final = 0.231841 0.000767274 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 130 130 Pair time (%) = 0.118719 (90.4775) Neigh time (%) = 0 (0) Comm time (%) = 0.00108743 (0.828742) Outpt time (%) = 0.000798702 (0.608701) Other time (%) = 0.0106087 (8.08501) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14248 ave 14248 max 14248 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14248 Ave neighs/atom = 27.8826 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1680 0 -2212.8273 -2212.8273 -3538.939 3538.939 1681 5.0891139e-08 -2212.8273 -2212.8273 -3538.939 3538.939 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 = -2212.82728753 -2212.82728753 -2212.82728753 Force two-norm initial, final = 0.0088348 0.0088348 Force max component initial, final = 0.000860247 0.000860247 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00193071 (89.8879) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.688201) Outpt time (%) = 0 (0) Other time (%) = 0.000202417 (9.42391) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1950 0 -2209.3761 -2209.3761 -3142.2135 3142.2135 1960 6.5480048 -2209.758 -2209.758 -3201.374 3201.374 1970 19.129584 -2210.9134 -2210.9134 -3476.8164 3476.8164 1980 1.1208043 -2211.4058 -2211.4058 -3529.4871 3529.4871 1990 0.012158312 -2211.6786 -2211.6786 -3484.7737 3484.7737 2000 0.76421246 -2211.7067 -2211.7067 -3495.0593 3495.0593 2010 0.045000101 -2211.6678 -2211.6678 -3489.6552 3489.6552 2020 0.33622183 -2211.6536 -2211.6536 -3491.9636 3491.9636 2030 0.00068368412 -2211.6092 -2211.6092 -3489.1235 3489.1235 2040 0.028363002 -2211.5898 -2211.5898 -3486.4892 3486.4892 2050 0.13141033 -2211.4433 -2211.4433 -3479.384 3479.384 2060 0.0068900378 -2211.3135 -2211.3135 -3469.5926 3469.5926 2070 0.0034037672 -2211.323 -2211.323 -3480.6029 3480.6029 2080 0.00013079643 -2211.3252 -2211.3252 -3476.4961 3476.4961 2090 0.0013526193 -2211.3265 -2211.3265 -3477.8428 3477.8428 2100 0.0018412056 -2211.3312 -2211.3312 -3476.1315 3476.1315 2110 4.5013378e-05 -2211.3299 -2211.3299 -3475.8077 3475.8077 2120 0.00028077602 -2211.3269 -2211.3269 -3476.7666 3476.7666 2130 0.0018640052 -2211.3091 -2211.3091 -3475.6628 3475.6628 2134 0.0043683213 -2211.3059 -2211.3059 -3476.163 3476.163 Loop time of 0.186849 on 1 procs for 184 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2209.37612156 -2211.30597889 -2211.30594987 Force two-norm initial, final = 9.66579 0.00623716 Force max component initial, final = 5.33469 0.000940579 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 184 184 Pair time (%) = 0.168669 (90.27) Neigh time (%) = 0 (0) Comm time (%) = 0.00152135 (0.814213) Outpt time (%) = 0.0012536 (0.670918) Other time (%) = 0.0154054 (8.24484) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 2134 0 -2211.3059 -2211.3059 -3476.193 3476.193 2135 2.5364307e-08 -2211.3059 -2211.3059 -3476.193 3476.193 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 = -2211.30594987 -2211.30594987 -2211.30594987 Force two-norm initial, final = 0.00623716 0.00623716 Force max component initial, final = 0.000940579 0.000940579 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00195694 (89.3923) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.718798) Outpt time (%) = 0 (0) Other time (%) = 0.000216484 (9.88891) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14240 ave 14240 max 14240 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14240 Ave neighs/atom = 27.8669 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2350 0 -2212.7804 -2212.7804 -3607.4239 3607.4239 2360 0.082495175 -2212.7852 -2212.7852 -3604.5742 3604.5742 2370 0.40450738 -2212.8066 -2212.8066 -3578.3956 3578.3956 2380 0.29204562 -2212.8125 -2212.8125 -3558.7542 3558.7542 2390 0.00051138223 -2212.8212 -2212.8212 -3545.3965 3545.3965 2400 0.034255067 -2212.8233 -2212.8233 -3543.804 3543.804 2410 0.050505085 -2212.8245 -2212.8245 -3547.8034 3547.8034 2420 0.003681014 -2212.826 -2212.826 -3547.1261 3547.1261 2430 0.012538797 -2212.8267 -2212.8267 -3544.2132 3544.2132 2440 0.003565326 -2212.8269 -2212.8269 -3541.5506 3541.5506 2450 0.0014900092 -2212.827 -2212.827 -3541.5835 3541.5835 2460 0.0031527004 -2212.8271 -2212.8271 -3541.3354 3541.3354 2470 0.00015221054 -2212.8272 -2212.8272 -3540.9199 3540.9199 2480 0.00048296329 -2212.8272 -2212.8272 -3540.5689 3540.5689 2490 0.00020480526 -2212.8272 -2212.8272 -3540.2291 3540.2291 2500 0.0008213078 -2212.8273 -2212.8273 -3539.666 3539.666 2505 0.00023111931 -2212.8273 -2212.8273 -3539.5236 3539.5236 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 = -2212.78036283 -2212.82727112 -2212.82727319 Force two-norm initial, final = 1.04323 0.00492216 Force max component initial, final = 0.23682 0.0004891 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 155 155 Pair time (%) = 0.140906 (91.2005) Neigh time (%) = 0 (0) Comm time (%) = 0.00128508 (0.831759) Outpt time (%) = 0.000999451 (0.64689) Other time (%) = 0.0113108 (7.32087) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14248 ave 14248 max 14248 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14248 Ave neighs/atom = 27.8826 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2505 0 -2212.8273 -2212.8273 -3539.5252 3539.5252 2506 1.5889534e-08 -2212.8273 -2212.8273 -3539.5252 3539.5252 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 = -2212.82727319 -2212.82727319 -2212.82727319 Force two-norm initial, final = 0.00493664 0.00493664 Force max component initial, final = 0.000537372 0.000537372 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192928 (89.9411) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.689119) Outpt time (%) = 0 (0) Other time (%) = 0.000200987 (9.36979) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2800 0 -2208.8483 -2208.8483 -3052.5382 3052.5382 2810 8.3805311 -2209.3355 -2209.3355 -3128.199 3128.199 2820 21.074607 -2210.6071 -2210.6071 -3477.0409 3477.0409 2830 1.1929555 -2211.1554 -2211.1554 -3554.8556 3554.8556 2840 3.7106705 -2211.4863 -2211.4863 -3437.0635 3437.0635 2850 0.89288013 -2211.6845 -2211.6845 -3481.0602 3481.0602 2860 0.09225448 -2211.6008 -2211.6008 -3498.8639 3498.8639 2870 0.21554694 -2211.496 -2211.496 -3476.7276 3476.7276 2880 0.00094724217 -2211.3635 -2211.3635 -3482.0793 3482.0793 2890 0.025202801 -2211.3542 -2211.3542 -3469.5651 3469.5651 2900 0.0076267194 -2211.2989 -2211.2989 -3462.8165 3462.8165 2910 0.00172067 -2211.3005 -2211.3005 -3476.4311 3476.4311 2920 0.011361395 -2211.2916 -2211.2916 -3475.7274 3475.7274 2930 0.0094466745 -2211.2721 -2211.2721 -3472.6549 3472.6549 2940 0.001035578 -2211.275 -2211.275 -3475.4379 3475.4379 2950 7.9705589e-05 -2211.2836 -2211.2836 -3475.2234 3475.2234 2956 0.00031204727 -2211.2842 -2211.2842 -3475.8387 3475.8387 Loop time of 0.158589 on 1 procs for 156 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2208.84830982 -2211.28403499 -2211.28421299 Force two-norm initial, final = 11.0399 0.00803944 Force max component initial, final = 6.46908 0.00302644 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 156 156 Pair time (%) = 0.142677 (89.9663) Neigh time (%) = 0 (0) Comm time (%) = 0.00128555 (0.810619) Outpt time (%) = 0.00103307 (0.651411) Other time (%) = 0.0135937 (8.57163) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 2956 0 -2211.2842 -2211.2842 -3475.8409 3475.8409 2957 4.2140559e-08 -2211.2842 -2211.2842 -3475.8409 3475.8409 Loop time of 0.00216794 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2211.28421299 -2211.28421299 -2211.28421299 Force two-norm initial, final = 0.00803944 0.00803944 Force max component initial, final = 0.00302644 0.00302644 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192618 (88.8486) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.681843) Outpt time (%) = 0 (0) Other time (%) = 0.000226974 (10.4696) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14240 ave 14240 max 14240 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14240 Ave neighs/atom = 27.8669 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1600 0 -2213.2863 -2213.2863 -3390.9484 3390.9484 1610 0.0097072182 -2213.2868 -2213.2868 -3390.5097 3390.5097 1620 0.07086768 -2213.2908 -2213.2908 -3387.1013 3387.1013 1630 0.16633308 -2213.3011 -2213.3011 -3387.3309 3387.3309 1640 0.031665473 -2213.3234 -2213.3234 -3382.0988 3382.0988 1650 0.05032361 -2213.3341 -2213.3341 -3382.4848 3382.4848 1660 0.010261307 -2213.3347 -2213.3347 -3383.4694 3383.4694 1670 0.00011987467 -2213.3363 -2213.3363 -3382.8565 3382.8565 1680 0.00013891393 -2213.3365 -2213.3365 -3383.5224 3383.5224 1690 0.0022505454 -2213.3366 -2213.3366 -3383.3127 3383.3127 1700 0.0068780461 -2213.3371 -2213.3371 -3383.1478 3383.1478 1710 4.7442399e-05 -2213.3372 -2213.3372 -3383.4277 3383.4277 1719 0.00044181781 -2213.3372 -2213.3372 -3383.4258 3383.4258 Loop time of 0.119256 on 1 procs for 119 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28625932 -2213.33723771 -2213.33724514 Force two-norm initial, final = 0.353657 0.0091413 Force max component initial, final = 0.0444147 0.000828892 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 119 119 Pair time (%) = 0.106331 (89.162) Neigh time (%) = 0 (0) Comm time (%) = 0.000998259 (0.837072) Outpt time (%) = 0.000769854 (0.645547) Other time (%) = 0.0111568 (9.35533) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3372 -2213.3372 -3383.4288 3383.4288 1720 1.6309401e-07 -2213.3372 -2213.3372 -3383.4288 3383.4288 1730 2.64637e-05 -2213.3372 -2213.3372 -3383.4295 3383.4295 1740 0.00028332467 -2213.3372 -2213.3372 -3383.4364 3383.4364 1750 0.0026063677 -2213.3371 -2213.3371 -3383.4847 3383.4847 1760 0.0010911498 -2213.337 -2213.337 -3383.5291 3383.5291 1770 0.00024832328 -2213.337 -2213.337 -3383.4022 3383.4022 1780 0.0051610678 -2213.3368 -2213.3368 -3383.3993 3383.3993 1790 0.00028633132 -2213.3363 -2213.3363 -3383.5102 3383.5102 1800 0.0033515264 -2213.3364 -2213.3364 -3383.4904 3383.4904 1810 0.0015641602 -2213.3364 -2213.3364 -3383.5075 3383.5075 1820 0.00088172479 -2213.3355 -2213.3355 -3383.6363 3383.6363 1830 0.0010838546 -2213.3358 -2213.3358 -3383.6236 3383.6236 1840 0.014616549 -2213.3352 -2213.3352 -3383.576 3383.576 1850 0.018168303 -2213.3288 -2213.3288 -3384.0522 3384.0522 1860 0.012443519 -2213.3303 -2213.3303 -3384.0553 3384.0553 1870 0.082146737 -2213.3342 -2213.3342 -3383.0459 3383.0459 1880 0.50584268 -2213.287 -2213.287 -3373.1337 3373.1337 1890 0.27258144 -2213.3236 -2213.3236 -3379.6529 3379.6529 1900 0.0070669231 -2213.336 -2213.336 -3383.2531 3383.2531 1910 9.2587483e-05 -2213.337 -2213.337 -3383.4242 3383.4242 1919 0.0011845457 -2213.337 -2213.337 -3383.423 3383.423 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 = -2213.33724514 -2213.33701338 -2213.33701928 Force two-norm initial, final = 0.0158159 0.0214285 Force max component initial, final = 0.00233242 0.00193113 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.177264 (88.6075) Neigh time (%) = 0 (0) Comm time (%) = 0.00168943 (0.844481) Outpt time (%) = 0.00147057 (0.735078) Other time (%) = 0.0196314 (9.81295) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2212.7686 -2212.7686 -3602.6038 3602.6038 1660 0.077085046 -2212.7731 -2212.7731 -3599.9055 3599.9055 1670 0.37549022 -2212.7935 -2212.7935 -3575.4099 3575.4099 1680 0.38400351 -2212.8057 -2212.8057 -3555.0729 3555.0729 1690 0.85998045 -2212.8183 -2212.8183 -3511.1486 3511.1486 1700 0.00057644667 -2212.8246 -2212.8246 -3526.7237 3526.7237 1710 0.015485428 -2212.8253 -2212.8253 -3527.9988 3527.9988 1720 0.036848708 -2212.8266 -2212.8266 -3537.6684 3537.6684 1730 0.00021272396 -2212.8268 -2212.8268 -3539.6 3539.6 1740 0.0024616034 -2212.8269 -2212.8269 -3539.3125 3539.3125 1750 0.0071762113 -2212.8272 -2212.8272 -3538.367 3538.367 1760 0.00043316997 -2212.8272 -2212.8272 -3538.4955 3538.4955 1770 6.0437502e-05 -2212.8273 -2212.8273 -3538.5346 3538.5346 1778 0.00026245018 -2212.8273 -2212.8273 -3538.6427 3538.6427 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 = -2212.76856498 -2212.82726129 -2212.82726386 Force two-norm initial, final = 1.00877 0.00727397 Force max component initial, final = 0.258592 0.000713467 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 128 128 Pair time (%) = 0.117627 (91.0827) Neigh time (%) = 0 (0) Comm time (%) = 0.00106692 (0.826156) Outpt time (%) = 0.000801802 (0.620863) Other time (%) = 0.00964737 (7.4703) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14246 ave 14246 max 14246 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14246 Ave neighs/atom = 27.8787 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1778 0 -2212.8273 -2212.8273 -3538.6445 3538.6445 1779 3.3977128e-08 -2212.8273 -2212.8273 -3538.6445 3538.6445 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 = -2212.82726386 -2212.82726386 -2212.82726386 Force two-norm initial, final = 0.00721886 0.00721886 Force max component initial, final = 0.000708996 0.000708996 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00193 (89.8546) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.754801) Outpt time (%) = 0 (0) Other time (%) = 0.000201702 (9.39061) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1700 0 -2212.7595 -2212.7595 -3600.4028 3600.4028 1710 0.076412954 -2212.764 -2212.764 -3597.7056 3597.7056 1720 0.38573929 -2212.7854 -2212.7854 -3573.5506 3573.5506 1730 0.49190382 -2212.8039 -2212.8039 -3553.3569 3553.3569 1740 0.78961206 -2212.8176 -2212.8176 -3515.6379 3515.6379 1750 0.0005224022 -2212.8236 -2212.8236 -3528.1897 3528.1897 1760 0.015697391 -2212.8244 -2212.8244 -3529.1328 3529.1328 1770 0.046717012 -2212.8266 -2212.8266 -3537.8591 3537.8591 1780 0.00022255972 -2212.8268 -2212.8268 -3539.7767 3539.7767 1790 0.0025933434 -2212.8269 -2212.8269 -3539.449 3539.449 1800 0.0070810657 -2212.8272 -2212.8272 -3538.1875 3538.1875 1810 0.00034090249 -2212.8272 -2212.8272 -3538.3478 3538.3478 1820 9.3076805e-05 -2212.8273 -2212.8273 -3538.4106 3538.4106 1829 0.00032806504 -2212.8273 -2212.8273 -3538.5667 3538.5667 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 = -2212.75951715 -2212.82726562 -2212.82726873 Force two-norm initial, final = 1.00372 0.00642937 Force max component initial, final = 0.243856 0.000680365 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 129 129 Pair time (%) = 0.119756 (90.4283) Neigh time (%) = 0 (0) Comm time (%) = 0.00108576 (0.81986) Outpt time (%) = 0.000815868 (0.616065) Other time (%) = 0.0107744 (8.13576) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14244 ave 14244 max 14244 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14244 Ave neighs/atom = 27.8748 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1829 0 -2212.8273 -2212.8273 -3538.5689 3538.5689 1830 2.6723876e-08 -2212.8273 -2212.8273 -3538.5689 3538.5689 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 = -2212.82726873 -2212.82726873 -2212.82726873 Force two-norm initial, final = 0.00640214 0.00640214 Force max component initial, final = 0.000673618 0.000673618 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00207615 (90.5857) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.68657) Outpt time (%) = 0 (0) Other time (%) = 0.000200033 (8.72776) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1650 0 -2212.7682 -2212.7682 -3599.2807 3599.2807 1660 0.081477756 -2212.773 -2212.773 -3596.6294 3596.6294 1670 0.41922575 -2212.7952 -2212.7952 -3572.4259 3572.4259 1680 0.38843778 -2212.8074 -2212.8074 -3553.0578 3553.0578 1690 0.21826066 -2212.8185 -2212.8185 -3539.9834 3539.9834 1700 0.048128774 -2212.8215 -2212.8215 -3539.1281 3539.1281 1710 0.013762305 -2212.8223 -2212.8223 -3540.4248 3540.4248 1720 0.038255017 -2212.8241 -2212.8241 -3541.6594 3541.6594 1730 8.0467608e-05 -2212.8258 -2212.8258 -3542.5604 3542.5604 1740 0.0037673686 -2212.8261 -2212.8261 -3542.2093 3542.2093 1750 0.014472902 -2212.8266 -2212.8266 -3539.4085 3539.4085 1760 0.0010595402 -2212.8269 -2212.8269 -3539.4862 3539.4862 1770 0.0030510401 -2212.827 -2212.827 -3539.6109 3539.6109 1780 0.00053188532 -2212.8271 -2212.8271 -3539.5519 3539.5519 1790 0.00042076552 -2212.8271 -2212.8271 -3539.3785 3539.3785 1800 3.4320613e-05 -2212.8272 -2212.8272 -3539.1866 3539.1866 1810 2.7242406e-05 -2212.8272 -2212.8272 -3539.1586 3539.1586 1820 0.00023728258 -2212.8272 -2212.8272 -3539.0948 3539.0948 1822 0.00037499566 -2212.8272 -2212.8272 -3539.0542 3539.0542 Loop time of 0.174799 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.76821418 -2212.82722168 -2212.827226 Force two-norm initial, final = 1.0359 0.00889504 Force max component initial, final = 0.212886 0.000591533 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.157489 (90.0973) Neigh time (%) = 0 (0) Comm time (%) = 0.00143266 (0.819603) Outpt time (%) = 0.00116706 (0.667658) Other time (%) = 0.0147102 (8.41549) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14248 ave 14248 max 14248 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14248 Ave neighs/atom = 27.8826 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1822 0 -2212.8272 -2212.8272 -3539.0567 3539.0567 1823 5.1610331e-08 -2212.8272 -2212.8272 -3539.0567 3539.0567 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 = -2212.827226 -2212.827226 -2212.827226 Force two-norm initial, final = 0.00889701 0.00889701 Force max component initial, final = 0.000578937 0.000578937 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0019331 (87.7489) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.681818) Outpt time (%) = 0 (0) Other time (%) = 0.000254869 (11.5693) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1700 0 -2212.7706 -2212.7706 -3600.945 3600.945 1710 0.084544027 -2212.7756 -2212.7756 -3598.2389 3598.2389 1720 0.43367099 -2212.799 -2212.799 -3573.8712 3573.8712 1730 0.37861769 -2212.8107 -2212.8107 -3554.6203 3554.6203 1740 0.24337738 -2212.8198 -2212.8198 -3541.7928 3541.7928 1750 0.050015801 -2212.823 -2212.823 -3539.818 3539.818 1760 0.010360137 -2212.8246 -2212.8246 -3544.7958 3544.7958 1770 0.0016381437 -2212.8253 -2212.8253 -3543.3771 3543.3771 1780 0.0077226685 -2212.8257 -2212.8257 -3543.4167 3543.4167 1790 0.040908179 -2212.8266 -2212.8266 -3540.2773 3540.2773 1800 0.0035641966 -2212.8271 -2212.8271 -3540.4776 3540.4776 1810 0.00025359152 -2212.8272 -2212.8272 -3540.4306 3540.4306 1820 0.00085161919 -2212.8272 -2212.8272 -3539.9874 3539.9874 1830 0.0017895861 -2212.8272 -2212.8272 -3538.657 3538.657 1838 0.0008928101 -2212.8273 -2212.8273 -3538.6952 3538.6952 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 = -2212.77062684 -2212.82727944 -2212.82728349 Force two-norm initial, final = 1.05549 0.00438284 Force max component initial, final = 0.270855 0.000368521 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.126238 (90.6482) Neigh time (%) = 0 (0) Comm time (%) = 0.00114012 (0.818691) Outpt time (%) = 0.000862122 (0.619069) Other time (%) = 0.0110211 (7.91402) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14246 ave 14246 max 14246 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14246 Ave neighs/atom = 27.8787 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1838 0 -2212.8273 -2212.8273 -3538.7013 3538.7013 1839 1.4031041e-08 -2212.8273 -2212.8273 -3538.7013 3538.7013 Loop time of 0.00230718 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82728349 -2212.82728349 -2212.82728349 Force two-norm initial, final = 0.00463896 0.00463896 Force max component initial, final = 0.000764576 0.000764576 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00207305 (89.8522) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.733698) Outpt time (%) = 0 (0) Other time (%) = 0.000217199 (9.41407) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1750 0 -2212.7706 -2212.7706 -3600.9604 3600.9604 1760 0.084185413 -2212.7756 -2212.7756 -3598.2552 3598.2552 1770 0.43158175 -2212.7989 -2212.7989 -3573.8984 3573.8984 1780 0.37927062 -2212.8107 -2212.8107 -3554.6954 3554.6954 1790 0.24201587 -2212.8197 -2212.8197 -3541.8508 3541.8508 1800 0.050419805 -2212.8229 -2212.8229 -3539.8274 3539.8274 1810 0.010408841 -2212.8245 -2212.8245 -3544.8053 3544.8053 1820 0.0016502602 -2212.8253 -2212.8253 -3543.3824 3543.3824 1830 0.0077649258 -2212.8257 -2212.8257 -3543.4257 3543.4257 1840 0.041378094 -2212.8266 -2212.8266 -3540.3016 3540.3016 1850 0.0034751692 -2212.8271 -2212.8271 -3540.4856 3540.4856 1860 0.00025044287 -2212.8272 -2212.8272 -3540.4394 3540.4394 1870 0.00085671442 -2212.8272 -2212.8272 -3539.9956 3539.9956 1880 0.0017575863 -2212.8272 -2212.8272 -3538.6597 3538.6597 1888 0.00087784786 -2212.8273 -2212.8273 -3538.6981 3538.6981 Loop time of 0.139231 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.77061246 -2212.82727942 -2212.82728339 Force two-norm initial, final = 1.05325 0.00439648 Force max component initial, final = 0.270605 0.000377602 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.126203 (90.6431) Neigh time (%) = 0 (0) Comm time (%) = 0.00111222 (0.798833) Outpt time (%) = 0.000859022 (0.616976) Other time (%) = 0.0110564 (7.94107) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14246 ave 14246 max 14246 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14246 Ave neighs/atom = 27.8787 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1888 0 -2212.8273 -2212.8273 -3538.7041 3538.7041 1889 1.4154839e-08 -2212.8273 -2212.8273 -3538.7041 3538.7041 Loop time of 0.00216317 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82728339 -2212.82728339 -2212.82728339 Force two-norm initial, final = 0.00465938 0.00465938 Force max component initial, final = 0.000777761 0.000777761 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0019331 (89.364) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.782542) Outpt time (%) = 0 (0) Other time (%) = 0.000213146 (9.85341) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1800 0 -2212.7707 -2212.7707 -3600.9416 3600.9416 1810 0.083973386 -2212.7756 -2212.7756 -3598.2375 3598.2375 1820 0.43026078 -2212.7989 -2212.7989 -3573.8832 3573.8832 1830 0.3794232 -2212.8107 -2212.8107 -3554.7248 3554.7248 1840 0.24108582 -2212.8197 -2212.8197 -3541.8554 3541.8554 1850 0.05080236 -2212.8229 -2212.8229 -3539.8139 3539.8139 1860 0.010451632 -2212.8246 -2212.8246 -3544.7906 3544.7906 1870 0.0016643157 -2212.8253 -2212.8253 -3543.3731 3543.3731 1880 0.0077440766 -2212.8257 -2212.8257 -3543.4184 3543.4184 1890 0.041937648 -2212.8266 -2212.8266 -3540.3433 3540.3433 1900 0.0033076766 -2212.8271 -2212.8271 -3540.4913 3540.4913 1910 0.00024402721 -2212.8272 -2212.8272 -3540.4469 3540.4469 1920 0.00085917846 -2212.8272 -2212.8272 -3540.0031 3540.0031 1930 0.0017025184 -2212.8272 -2212.8272 -3538.6631 3538.6631 1938 0.00085353124 -2212.8273 -2212.8273 -3538.7008 3538.7008 Loop time of 0.139103 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.77067863 -2212.82727944 -2212.8272833 Force two-norm initial, final = 1.05191 0.0043995 Force max component initial, final = 0.270509 0.000381834 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.126439 (90.8961) Neigh time (%) = 0 (0) Comm time (%) = 0.00114608 (0.823906) Outpt time (%) = 0.000872374 (0.627142) Other time (%) = 0.0106454 (7.65289) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14246 ave 14246 max 14246 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14246 Ave neighs/atom = 27.8787 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1938 0 -2212.8273 -2212.8273 -3538.7067 3538.7067 1939 1.4190024e-08 -2212.8273 -2212.8273 -3538.7067 3538.7067 Loop time of 0.0021441 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.8272833 -2212.8272833 -2212.8272833 Force two-norm initial, final = 0.00466517 0.00466517 Force max component initial, final = 0.000783449 0.000783449 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192785 (89.9144) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.745024) Outpt time (%) = 0 (0) Other time (%) = 0.000200272 (9.3406) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1850 0 -2212.7712 -2212.7712 -3600.7788 3600.7788 1860 0.084360305 -2212.7762 -2212.7762 -3598.0763 3598.0763 1870 0.43209916 -2212.7995 -2212.7995 -3573.6947 3573.6947 1880 0.37650889 -2212.811 -2212.811 -3554.5295 3554.5295 1890 0.2422447 -2212.8198 -2212.8198 -3541.6021 3541.6021 1900 0.050808189 -2212.8231 -2212.8231 -3539.6877 3539.6877 1910 0.010448867 -2212.8246 -2212.8246 -3544.6598 3544.6598 1920 0.001680827 -2212.8254 -2212.8254 -3543.2925 3543.2925 1930 0.0074164797 -2212.8258 -2212.8258 -3543.3301 3543.3301 1940 0.042820635 -2212.8267 -2212.8267 -3540.4502 3540.4502 1950 0.0028399839 -2212.8271 -2212.8271 -3540.4824 3540.4824 1960 0.00022566939 -2212.8272 -2212.8272 -3540.4436 3540.4436 1970 0.00084622861 -2212.8272 -2212.8272 -3540.0033 3540.0033 1980 0.0015489337 -2212.8272 -2212.8272 -3538.6735 3538.6735 1988 0.00079473864 -2212.8273 -2212.8273 -3538.7044 3538.7044 Loop time of 0.139007 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.77119901 -2212.82727962 -2212.82728317 Force two-norm initial, final = 1.05429 0.00435371 Force max component initial, final = 0.271423 0.000357172 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.126139 (90.743) Neigh time (%) = 0 (0) Comm time (%) = 0.00115919 (0.833908) Outpt time (%) = 0.000866175 (0.623115) Other time (%) = 0.0108426 (7.80001) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14246 ave 14246 max 14246 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14246 Ave neighs/atom = 27.8787 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1988 0 -2212.8273 -2212.8273 -3538.7099 3538.7099 1989 1.3796558e-08 -2212.8273 -2212.8273 -3538.7099 3538.7099 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 = -2212.82728317 -2212.82728317 -2212.82728317 Force two-norm initial, final = 0.00460003 0.00460003 Force max component initial, final = 0.000746774 0.000746774 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0019269 (88.3955) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.831237) Outpt time (%) = 0 (0) Other time (%) = 0.000234842 (10.7733) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1900 0 -2212.7717 -2212.7717 -3600.5952 3600.5952 1910 0.083263153 -2212.7766 -2212.7766 -3597.8847 3597.8847 1920 0.4230499 -2212.7995 -2212.7995 -3573.459 3573.459 1930 0.38121163 -2212.8114 -2212.8114 -3554.4995 3554.4995 1940 0.23545948 -2212.82 -2212.82 -3541.4243 3541.4243 1950 0.05177099 -2212.8232 -2212.8232 -3539.407 3539.407 1960 0.010626942 -2212.8248 -2212.8248 -3544.437 3544.437 1970 0.0017123596 -2212.8255 -2212.8255 -3543.0974 3543.0974 1980 0.0069838581 -2212.8259 -2212.8259 -3543.1606 3543.1606 1990 0.044296809 -2212.8268 -2212.8268 -3540.5902 3540.5902 2000 0.0022641074 -2212.8271 -2212.8271 -3540.4556 3540.4556 2010 0.0002027817 -2212.8272 -2212.8272 -3540.4268 3540.4268 2020 0.00082017229 -2212.8272 -2212.8272 -3539.9948 3539.9948 2030 0.0013294221 -2212.8272 -2212.8272 -3538.688 3538.688 2038 0.00070981801 -2212.8273 -2212.8273 -3538.7068 3538.7068 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 = -2212.77170218 -2212.82727993 -2212.82728302 Force two-norm initial, final = 1.04757 0.00433879 Force max component initial, final = 0.271511 0.00037879 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.126149 (90.1617) Neigh time (%) = 0 (0) Comm time (%) = 0.00113606 (0.811975) Outpt time (%) = 0.000862837 (0.616692) Other time (%) = 0.0117662 (8.4096) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14246 ave 14246 max 14246 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14246 Ave neighs/atom = 27.8787 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2038 0 -2212.8273 -2212.8273 -3538.7117 3538.7117 2039 1.3742656e-08 -2212.8273 -2212.8273 -3538.7117 3538.7117 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 = -2212.82728302 -2212.82728302 -2212.82728302 Force two-norm initial, final = 0.00459104 0.00459104 Force max component initial, final = 0.000767699 0.000767699 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00194311 (89.1392) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.787488) Outpt time (%) = 0 (0) Other time (%) = 0.000219584 (10.0733) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.3089 -2213.3089 -3383.7152 3383.7152 1710 0.011271304 -2213.3096 -2213.3096 -3383.8426 3383.8426 1720 0.071906724 -2213.3133 -2213.3133 -3384.5252 3384.5252 1730 0.18018268 -2213.3229 -2213.3229 -3382.5522 3382.5522 1740 0.086561893 -2213.3332 -2213.3332 -3383.3258 3383.3258 1750 5.2757996e-05 -2213.3339 -2213.3339 -3383.8781 3383.8781 1760 0.0062530185 -2213.3342 -2213.3342 -3383.9713 3383.9713 1770 0.031145237 -2213.3359 -2213.3359 -3383.3171 3383.3171 1780 0.0016350815 -2213.337 -2213.337 -3383.3241 3383.3241 1790 0.0010124787 -2213.3371 -2213.3371 -3383.3035 3383.3035 1800 0.00051767131 -2213.3372 -2213.3372 -3383.3614 3383.3614 1810 0.00010835263 -2213.3372 -2213.3372 -3383.3662 3383.3662 1820 0.0010140679 -2213.3373 -2213.3373 -3383.3629 3383.3629 1823 0.0016315063 -2213.3373 -2213.3373 -3383.3686 3383.3686 Loop time of 0.123821 on 1 procs for 123 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30891385 -2213.33731108 -2213.33732571 Force two-norm initial, final = 0.38355 0.00974573 Force max component initial, final = 0.0324658 0.000777448 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 123 123 Pair time (%) = 0.109454 (88.3971) Neigh time (%) = 0 (0) Comm time (%) = 0.0010457 (0.844529) Outpt time (%) = 0.00083375 (0.673351) Other time (%) = 0.0124874 (10.085) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1823 0 -2213.3373 -2213.3373 -3383.3798 3383.3798 1824 6.192659e-08 -2213.3373 -2213.3373 -3383.3798 3383.3798 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 = -2213.33732571 -2213.33732571 -2213.33732571 Force two-norm initial, final = 0.00974573 0.00974573 Force max component initial, final = 0.000777448 0.000777448 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185299 (87.8589) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.813927) Outpt time (%) = 0 (0) Other time (%) = 0.000238895 (11.3272) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2211.2102 -2211.2102 -3399.6586 3399.6586 1760 2.7566029 -2211.372 -2211.372 -3404.5835 3404.5835 1770 16.269218 -2212.2113 -2212.2113 -3416.3008 3416.3008 1780 0.11568975 -2213.0176 -2213.0176 -3149.3308 3149.3308 1790 0.059200932 -2213.1921 -2213.1921 -3519.1745 3519.1745 1800 0.91963606 -2213.2507 -2213.2507 -3320.7546 3320.7546 1810 0.099561543 -2213.3069 -2213.3069 -3420.916 3420.916 1820 0.38057419 -2213.3239 -2213.3239 -3401.9785 3401.9785 1830 0.0012234934 -2213.3279 -2213.3279 -3378.9297 3378.9297 1840 0.024608323 -2213.3294 -2213.3294 -3388.6273 3388.6273 1850 0.11093664 -2213.3353 -2213.3353 -3391.4772 3391.4772 1860 0.0012814881 -2213.3367 -2213.3367 -3389.0259 3389.0259 1870 0.0064616487 -2213.337 -2213.337 -3381.3431 3381.3431 1880 1.254274e-05 -2213.3372 -2213.3372 -3382.3971 3382.3971 1890 0.00044763579 -2213.3372 -2213.3372 -3383.6847 3383.6847 1900 0.0024854821 -2213.3373 -2213.3373 -3383.6514 3383.6514 1903 0.0030943721 -2213.3374 -2213.3374 -3383.449 3383.449 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 = -2211.2101911 -2213.33733979 -2213.3373582 Force two-norm initial, final = 6.03639 0.00963055 Force max component initial, final = 2.67231 0.00169912 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 153 153 Pair time (%) = 0.136335 (89.1301) Neigh time (%) = 0 (0) Comm time (%) = 0.0012567 (0.82158) Outpt time (%) = 0.000992298 (0.648722) Other time (%) = 0.0143778 (9.39961) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14270 ave 14270 max 14270 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14270 Ave neighs/atom = 27.9256 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 -3383.4702 3383.4702 1904 6.0471504e-08 -2213.3374 -2213.3374 -3383.4702 3383.4702 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 = -2213.3373582 -2213.3373582 -2213.3373582 Force two-norm initial, final = 0.00963055 0.00963055 Force max component initial, final = 0.00169912 0.00169912 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185895 (87.0687) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.714685) Outpt time (%) = 0 (0) Other time (%) = 0.00026083 (12.2166) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2211.1749 -2211.1749 -3411.4517 3411.4517 1810 2.7310026 -2211.3353 -2211.3353 -3415.8458 3415.8458 1820 16.263921 -2212.1758 -2212.1758 -3424.7692 3424.7692 1830 0.11845555 -2213.001 -2213.001 -3145.4521 3145.4521 1840 0.061370255 -2213.1782 -2213.1782 -3523.1431 3523.1431 1850 0.94881154 -2213.2391 -2213.2391 -3320.6477 3320.6477 1860 0.10716855 -2213.2988 -2213.2988 -3422.9788 3422.9788 1870 0.42613787 -2213.3182 -2213.3182 -3404.4527 3404.4527 1880 0.0027319306 -2213.3225 -2213.3225 -3361.1378 3361.1378 1890 0.037211189 -2213.3251 -2213.3251 -3398.9606 3398.9606 1900 0.18563687 -2213.3328 -2213.3328 -3400.1676 3400.1676 1910 0.0032759265 -2213.3337 -2213.3337 -3374.8917 3374.8917 1920 0.012519937 -2213.3345 -2213.3345 -3390.4093 3390.4093 1930 0.0091038818 -2213.3362 -2213.3362 -3390.1979 3390.1979 1940 0.0019091181 -2213.3364 -2213.3364 -3383.4863 3383.4863 1950 0.0069715222 -2213.3368 -2213.3368 -3379.0558 3379.0558 1960 0.027988886 -2213.337 -2213.337 -3392.0232 3392.0232 1966 0.0082704794 -2213.3373 -2213.3373 -3383.3692 3383.3692 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 = -2211.17491702 -2213.33730184 -2213.33733297 Force two-norm initial, final = 6.0064 0.00965777 Force max component initial, final = 2.6823 0.000799725 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.14772 (89.7929) Neigh time (%) = 0 (0) Comm time (%) = 0.00136757 (0.831289) Outpt time (%) = 0.00106263 (0.64593) Other time (%) = 0.0143616 (8.72984) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14268 ave 14268 max 14268 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14268 Ave neighs/atom = 27.9217 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 -3383.426 3383.426 1967 6.0813849e-08 -2213.3373 -2213.3373 -3383.426 3383.426 Loop time of 0.00210881 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733297 -2213.33733297 -2213.33733297 Force two-norm initial, final = 0.00965777 0.00965777 Force max component initial, final = 0.000799725 0.000799725 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185895 (88.1515) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.859243) Outpt time (%) = 0 (0) Other time (%) = 0.000231743 (10.9893) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2883 -2213.2883 -3382.3727 3382.3727 1760 0.00920238 -2213.2888 -2213.2888 -3382.874 3382.874 1770 0.068377317 -2213.2926 -2213.2926 -3386.7423 3386.7423 1780 0.1803379 -2213.3034 -2213.3034 -3385.4623 3385.4623 1790 0.068249085 -2213.3248 -2213.3248 -3384.515 3384.515 1800 0.045910181 -2213.327 -2213.327 -3384.3613 3384.3613 1810 0.00075990509 -2213.3352 -2213.3352 -3382.9257 3382.9257 1820 0.0023456642 -2213.3357 -2213.3357 -3383.8713 3383.8713 1830 0.014567232 -2213.3362 -2213.3362 -3383.7395 3383.7395 1840 0.0035655177 -2213.3364 -2213.3364 -3383.5562 3383.5562 1850 0.0011020825 -2213.3367 -2213.3367 -3383.6061 3383.6061 1860 0.00015241757 -2213.3369 -2213.3369 -3383.5893 3383.5893 1870 0.0001181108 -2213.337 -2213.337 -3383.5212 3383.5212 1880 0.0014492765 -2213.337 -2213.337 -3383.4943 3383.4943 1889 0.0048743041 -2213.3373 -2213.3373 -3383.3785 3383.3785 Loop time of 0.137775 on 1 procs for 139 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28829889 -2213.33728508 -2213.33732191 Force two-norm initial, final = 0.344499 0.00951533 Force max component initial, final = 0.0373016 0.000851886 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 139 139 Pair time (%) = 0.122633 (89.0095) Neigh time (%) = 0 (0) Comm time (%) = 0.00116372 (0.844654) Outpt time (%) = 0.000897169 (0.651185) Other time (%) = 0.0130813 (9.4947) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.4119 3383.4119 1890 6.5246128e-08 -2213.3373 -2213.3373 -3383.4119 3383.4119 1892 5.8719057e-07 -2213.3373 -2213.3373 -3383.4118 3383.4118 Loop time of 0.00423694 on 1 procs for 3 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732191 -2213.33732192 -2213.33732192 Force two-norm initial, final = 0.0100035 0.00999774 Force max component initial, final = 0.000677508 0.000677017 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 3 3 Pair time (%) = 0.00370622 (87.474) Neigh time (%) = 0 (0) Comm time (%) = 3.21865e-05 (0.759665) Outpt time (%) = 6.69956e-05 (1.58123) Other time (%) = 0.000431538 (10.1851) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2211.2073 -2211.2073 -3402.3071 3402.3071 1810 2.7521069 -2211.3689 -2211.3689 -3407.2879 3407.2879 1820 16.227606 -2212.2066 -2212.2066 -3421.2559 3421.2559 1830 0.11760355 -2213.0144 -2213.0144 -3144.6941 3144.6941 1840 0.060613564 -2213.189 -2213.189 -3521.6977 3521.6977 1850 0.92303037 -2213.2481 -2213.2481 -3319.5525 3319.5525 1860 0.10193168 -2213.3044 -2213.3044 -3421.4905 3421.4905 1870 0.3913765 -2213.3218 -2213.3218 -3402.6575 3402.6575 1880 0.0025418813 -2213.3255 -2213.3255 -3361.4407 3361.4407 1890 0.032926613 -2213.3277 -2213.3277 -3398.4391 3398.4391 1900 0.15857747 -2213.3341 -2213.3341 -3395.9319 3395.9319 1910 0.0021535271 -2213.3347 -2213.3347 -3376.8929 3376.8929 1920 0.0094390939 -2213.3353 -2213.3353 -3388.6814 3388.6814 1930 0.0060874097 -2213.3365 -2213.3365 -3388.6643 3388.6643 1940 0.0013536107 -2213.3367 -2213.3367 -3383.4567 3383.4567 1950 0.0050601575 -2213.3369 -2213.3369 -3379.9023 3379.9023 1960 0.018018733 -2213.3371 -2213.3371 -3389.9032 3389.9032 1966 0.0054428463 -2213.3373 -2213.3373 -3383.3529 3383.3529 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 = -2211.20730661 -2213.33732898 -2213.33734899 Force two-norm initial, final = 6.03149 0.00818783 Force max component initial, final = 2.68376 0.000681237 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.147682 (89.4672) Neigh time (%) = 0 (0) Comm time (%) = 0.00136781 (0.828628) Outpt time (%) = 0.00106668 (0.646206) Other time (%) = 0.0149519 (9.058) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14270 ave 14270 max 14270 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14270 Ave neighs/atom = 27.9256 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 -3383.3903 3383.3903 1967 4.4074756e-08 -2213.3373 -2213.3373 -3383.3903 3383.3903 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 = -2213.33734899 -2213.33734899 -2213.33734899 Force two-norm initial, final = 0.00822187 0.00822187 Force max component initial, final = 0.000680578 0.000680578 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00200367 (88.5004) Neigh time (%) = 0 (0) Comm time (%) = 1.38283e-05 (0.610783) Outpt time (%) = 0 (0) Other time (%) = 0.000246525 (10.8888) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2211.1902 -2211.1902 -3405.358 3405.358 1860 2.7582821 -2211.3521 -2211.3521 -3410.2905 3410.2905 1870 16.25797 -2212.192 -2212.192 -3424.4025 3424.4025 1880 0.11932635 -2213.0057 -2213.0057 -3141.97 3141.97 1890 0.061723276 -2213.1822 -2213.1822 -3523.6742 3523.6742 1900 0.93865054 -2213.2424 -2213.2424 -3319.3287 3319.3287 1910 0.1055464 -2213.3005 -2213.3005 -3422.5579 3422.5579 1920 0.41162983 -2213.319 -2213.319 -3403.9197 3403.9197 1930 0.002686362 -2213.3231 -2213.3231 -3361.1655 3361.1655 1940 0.035892763 -2213.3256 -2213.3256 -3398.8908 3398.8908 1950 0.17837125 -2213.333 -2213.333 -3399.0705 3399.0705 1960 0.0029734504 -2213.3339 -2213.3339 -3375.4749 3375.4749 1970 0.011882441 -2213.3346 -2213.3346 -3389.99 3389.99 1980 0.0082880346 -2213.3362 -2213.3362 -3389.8037 3389.8037 1990 0.0017910024 -2213.3364 -2213.3364 -3383.4978 3383.4978 2000 0.0066432912 -2213.3368 -2213.3368 -3379.2649 3379.2649 2010 0.024926354 -2213.337 -2213.337 -3391.3704 3391.3704 2016 0.0074319549 -2213.3373 -2213.3373 -3383.3593 3383.3593 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 = -2211.19015052 -2213.33730718 -2213.33733493 Force two-norm initial, final = 6.03858 0.00942101 Force max component initial, final = 2.70136 0.000765711 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.147613 (89.6818) Neigh time (%) = 0 (0) Comm time (%) = 0.00135851 (0.82536) Outpt time (%) = 0.00106502 (0.647049) Other time (%) = 0.0145597 (8.84576) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14270 ave 14270 max 14270 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14270 Ave neighs/atom = 27.9256 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 -3383.4104 3383.4104 2017 5.7868706e-08 -2213.3373 -2213.3373 -3383.4104 3383.4104 Loop time of 0.00206399 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733493 -2213.33733493 -2213.33733493 Force two-norm initial, final = 0.00942101 0.00942101 Force max component initial, final = 0.000765711 0.000765711 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018611 (90.1698) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.739286) Outpt time (%) = 0 (0) Other time (%) = 0.000187635 (9.09091) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2915 -2213.2915 -3389.6871 3389.6871 1810 0.0081968335 -2213.292 -2213.292 -3389.182 3389.182 1820 0.068748802 -2213.2958 -2213.2958 -3385.8266 3385.8266 1830 0.21562237 -2213.3083 -2213.3083 -3388.6053 3388.6053 1840 0.066305959 -2213.3293 -2213.3293 -3385.5105 3385.5105 1850 0.02964182 -2213.3314 -2213.3314 -3385.9452 3385.9452 1860 0.0066631822 -2213.3345 -2213.3345 -3381.4866 3381.4866 1870 0.0025511412 -2213.3349 -2213.3349 -3384.4794 3384.4794 1880 0.016859168 -2213.3358 -2213.3358 -3383.5273 3383.5273 1890 0.0022055956 -2213.3368 -2213.3368 -3383.6229 3383.6229 1900 0.0011493192 -2213.3369 -2213.3369 -3383.3668 3383.3668 1910 0.0061951626 -2213.3372 -2213.3372 -3383.4287 3383.4287 1920 7.3790117e-05 -2213.3373 -2213.3373 -3383.4654 3383.4654 1930 0.00052408885 -2213.3373 -2213.3373 -3383.3461 3383.3461 1940 0.00015978913 -2213.3373 -2213.3373 -3383.3891 3383.3891 1945 0.0004042177 -2213.3373 -2213.3373 -3383.3904 3383.3904 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 = -2213.29151205 -2213.33732407 -2213.337329 Force two-norm initial, final = 0.323402 0.00875374 Force max component initial, final = 0.0572252 0.000760071 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 145 145 Pair time (%) = 0.128569 (89.4194) Neigh time (%) = 0 (0) Comm time (%) = 0.00119877 (0.83374) Outpt time (%) = 0.00095892 (0.666925) Other time (%) = 0.0130553 (9.07993) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3373 -2213.3373 -3383.3932 3383.3932 1946 5.633161e-08 -2213.3373 -2213.3373 -3383.3932 3383.3932 Loop time of 0.00209093 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.337329 -2213.337329 -2213.337329 Force two-norm initial, final = 0.00929505 0.00929505 Force max component initial, final = 0.000760866 0.000760866 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (88.4379) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.763968) Outpt time (%) = 0 (0) Other time (%) = 0.000225782 (10.7982) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2211.2413 -2211.2413 -3403.2599 3403.2599 1860 2.6495359 -2211.3969 -2211.3969 -3408.4968 3408.4968 1870 15.705431 -2212.2091 -2212.2091 -3426.6246 3426.6246 1880 0.109312 -2213.0208 -2213.0208 -3157.8679 3157.8679 1890 0.056663056 -2213.1852 -2213.1852 -3518.2355 3518.2355 1900 0.88272705 -2213.2419 -2213.2419 -3324.6365 3324.6365 1910 0.10135643 -2213.2987 -2213.2987 -3422.4195 3422.4195 1920 0.41167319 -2213.3174 -2213.3174 -3404.9253 3404.9253 1930 0.00022162722 -2213.3315 -2213.3315 -3392.2886 3392.2886 1940 0.01589397 -2213.3325 -2213.3325 -3377.9924 3377.9924 1950 0.069065486 -2213.3359 -2213.3359 -3368.0184 3368.0184 1960 0.01620345 -2213.3368 -2213.3368 -3372.4875 3372.4875 1970 0.0016712458 -2213.3371 -2213.3371 -3386.7691 3386.7691 1980 0.00019855323 -2213.3372 -2213.3372 -3381.1439 3381.1439 1990 0.00073249646 -2213.3372 -2213.3372 -3385.2341 3385.2341 2000 3.5733396e-05 -2213.3373 -2213.3373 -3385.2994 3385.2994 2010 8.2312933e-05 -2213.3373 -2213.3373 -3382.6113 3382.6113 2013 0.00015150979 -2213.3373 -2213.3373 -3383.251 3383.251 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 = -2211.24132705 -2213.33733915 -2213.33734036 Force two-norm initial, final = 5.91543 0.00827307 Force max component initial, final = 2.68841 0.000913607 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.144992 (90.481) Neigh time (%) = 0 (0) Comm time (%) = 0.00132966 (0.829763) Outpt time (%) = 0.00108767 (0.678748) Other time (%) = 0.0128365 (8.01047) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14270 ave 14270 max 14270 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14270 Ave neighs/atom = 27.9256 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2013 0 -2213.3373 -2213.3373 -3383.252 3383.252 2014 4.4625376e-08 -2213.3373 -2213.3373 -3383.252 3383.252 Loop time of 0.00206399 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734036 -2213.33734036 -2213.33734036 Force two-norm initial, final = 0.00827307 0.00827307 Force max component initial, final = 0.000913607 0.000913607 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185966 (90.1005) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.77394) Outpt time (%) = 0 (0) Other time (%) = 0.000188351 (9.12556) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2211.2106 -2211.2106 -3412.0692 3412.0692 1910 2.6357856 -2211.3653 -2211.3653 -3416.9948 3416.9948 1920 15.687682 -2212.1781 -2212.1781 -3434.3536 3434.3536 1930 0.11214289 -2213.0042 -2213.0042 -3154.0711 3154.0711 1940 0.058578237 -2213.1719 -2213.1719 -3522.0635 3522.0635 1950 0.91214053 -2213.2307 -2213.2307 -3324.5561 3324.5561 1960 0.22487075 -2213.2866 -2213.2866 -3469.6235 3469.6235 1970 0.035320232 -2213.3044 -2213.3044 -3365.0714 3365.0714 1980 0.16590034 -2213.3138 -2213.3138 -3400.4795 3400.4795 1990 0.74435795 -2213.3291 -2213.3291 -3332.4792 3332.4792 2000 0.030683713 -2213.3351 -2213.3351 -3385.4342 3385.4342 2010 0.002988931 -2213.3353 -2213.3353 -3382.1313 3382.1313 2020 0.017313383 -2213.3362 -2213.3362 -3381.0372 3381.0372 2030 0.0025180541 -2213.3371 -2213.3371 -3382.2052 3382.2052 2040 0.00081976693 -2213.3372 -2213.3372 -3382.8921 3382.8921 2050 0.0026243024 -2213.3373 -2213.3373 -3381.5055 3381.5055 2060 0.00058589314 -2213.3373 -2213.3373 -3381.4588 3381.4588 2070 9.7406725e-05 -2213.3374 -2213.3374 -3383.9225 3383.9225 2074 0.00020168651 -2213.3374 -2213.3374 -3383.3489 3383.3489 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 = -2211.21055718 -2213.3373627 -2213.33736386 Force two-norm initial, final = 5.89928 0.00935635 Force max component initial, final = 2.67498 0.00208439 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.155282 (90.3582) Neigh time (%) = 0 (0) Comm time (%) = 0.00143933 (0.837546) Outpt time (%) = 0.00113726 (0.661768) Other time (%) = 0.013993 (8.14253) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14270 ave 14270 max 14270 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14270 Ave neighs/atom = 27.9256 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 -3383.3502 3383.3502 2075 5.7071642e-08 -2213.3374 -2213.3374 -3383.3502 3383.3502 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 = -2213.33736386 -2213.33736386 -2213.33736386 Force two-norm initial, final = 0.0093559 0.0093559 Force max component initial, final = 0.0021544 0.0021544 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186396 (87.7934) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.808535) Outpt time (%) = 0 (0) Other time (%) = 0.000241995 (11.3981) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2212.7581 -2212.7581 -3577.7416 3577.7416 1860 0.079915066 -2212.7628 -2212.7628 -3574.839 3574.839 1870 0.40112042 -2212.7848 -2212.7848 -3548.6378 3548.6378 1880 0.53229783 -2212.8039 -2212.8039 -3523.4773 3523.4773 1890 0.74541752 -2212.8166 -2212.8166 -3502.9035 3502.9035 1900 0.00034234349 -2212.8231 -2212.8231 -3517.4846 3517.4846 1910 0.021620204 -2212.8244 -2212.8244 -3518.7553 3518.7553 1920 0.045424163 -2212.8264 -2212.8264 -3532.0365 3532.0365 1930 0.0043238389 -2212.8268 -2212.8268 -3534.8226 3534.8226 1940 8.3907405e-06 -2212.827 -2212.827 -3535.0434 3535.0434 1950 0.00054614883 -2212.827 -2212.827 -3535.106 3535.106 1960 0.0024338819 -2212.8272 -2212.8272 -3535.9835 3535.9835 1970 0.00012220494 -2212.8272 -2212.8272 -3537.5728 3537.5728 1975 0.0025573805 -2212.8273 -2212.8273 -3537.609 3537.609 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 = -2212.75805513 -2212.82726629 -2212.82727546 Force two-norm initial, final = 1.02662 0.00612533 Force max component initial, final = 0.263354 0.000478286 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 125 125 Pair time (%) = 0.115463 (90.2149) Neigh time (%) = 0 (0) Comm time (%) = 0.00103569 (0.809216) Outpt time (%) = 0.00082612 (0.645473) Other time (%) = 0.0106618 (8.33041) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14244 ave 14244 max 14244 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14244 Ave neighs/atom = 27.8748 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1975 0 -2212.8273 -2212.8273 -3537.6266 3537.6266 1976 2.4414715e-08 -2212.8273 -2212.8273 -3537.6266 3537.6266 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 = -2212.82727546 -2212.82727546 -2212.82727546 Force two-norm initial, final = 0.0061193 0.0061193 Force max component initial, final = 0.000483606 0.000483606 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00194883 (89.3138) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.786713) Outpt time (%) = 0 (0) Other time (%) = 0.000216007 (9.89948) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 1900 0 -2211.1957 -2211.1957 -3402.3901 3402.3901 1910 2.8176414 -2211.3611 -2211.3611 -3407.8484 3407.8484 1920 16.551965 -2212.2124 -2212.2124 -3426.4425 3426.4425 1930 0.12265702 -2213.0142 -2213.0142 -3136.6499 3136.6499 1940 0.064030756 -2213.1996 -2213.1996 -3476.9434 3476.9434 1950 0.87184473 -2213.2514 -2213.2514 -3348.185 3348.185 1960 1.4928629 -2213.3143 -2213.3143 -3327.1766 3327.1766 1970 0.022026589 -2213.3253 -2213.3253 -3405.2382 3405.2382 1980 0.10057234 -2213.3315 -2213.3315 -3365.576 3365.576 1990 0.02379886 -2213.3343 -2213.3343 -3379.3473 3379.3473 2000 0.0075392198 -2213.3347 -2213.3347 -3382.7834 3382.7834 2010 0.019625485 -2213.3356 -2213.3356 -3374.8838 3374.8838 2020 9.0126667e-05 -2213.3366 -2213.3366 -3377.2045 3377.2045 2030 2.8531548e-05 -2213.3368 -2213.3368 -3385.3886 3385.3886 2040 0.00087519723 -2213.3368 -2213.3368 -3382.9986 3382.9986 2050 0.0046324856 -2213.3371 -2213.3371 -3384.6534 3384.6534 2060 1.2795746e-05 -2213.3373 -2213.3373 -3382.0916 3382.0916 2065 0.00029980583 -2213.3373 -2213.3373 -3383.1967 3383.1967 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 = -2211.19565942 -2213.33734382 -2213.33734612 Force two-norm initial, final = 6.10472 0.00825608 Force max component initial, final = 2.84728 0.00100923 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 165 165 Pair time (%) = 0.149447 (89.4655) Neigh time (%) = 0 (0) Comm time (%) = 0.00136685 (0.81826) Outpt time (%) = 0.00107312 (0.642419) Other time (%) = 0.0151572 (9.07379) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14272 ave 14272 max 14272 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14272 Ave neighs/atom = 27.9295 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 -3383.1988 3383.1988 2066 4.5026007e-08 -2213.3373 -2213.3373 -3383.1988 3383.1988 Loop time of 0.00224495 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734612 -2213.33734612 -2213.33734612 Force two-norm initial, final = 0.00831012 0.00831012 Force max component initial, final = 0.00104986 0.00104986 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192809 (85.8857) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.754036) Outpt time (%) = 0 (0) Other time (%) = 0.000299931 (13.3602) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2211.1828 -2211.1828 -3402.0388 3402.0388 1960 2.8500012 -2211.3501 -2211.3501 -3407.7827 3407.7827 1970 16.598615 -2212.2059 -2212.2059 -3429.3471 3429.3471 1980 0.12454302 -2213.0097 -2213.0097 -3131.0008 3131.0008 1990 0.064904114 -2213.1962 -2213.1962 -3478.8658 3478.8658 2000 0.87480673 -2213.2485 -2213.2485 -3347.3764 3347.3764 2010 1.5280961 -2213.313 -2213.313 -3323.6881 3323.6881 2020 0.022979237 -2213.3243 -2213.3243 -3406.8133 3406.8133 2030 0.10496317 -2213.3308 -2213.3308 -3364.9793 3364.9793 2040 0.024773284 -2213.3338 -2213.3338 -3379.2105 3379.2105 2050 0.0042381639 -2213.3349 -2213.3349 -3392.4245 3392.4245 2060 0.021822578 -2213.3359 -2213.3359 -3387.2031 3387.2031 2070 2.682873e-05 -2213.3368 -2213.3368 -3386.0933 3386.0933 2080 0.0011973478 -2213.3369 -2213.3369 -3381.5428 3381.5428 2090 0.006833777 -2213.3372 -2213.3372 -3377.3854 3377.3854 2100 0.0034185038 -2213.3373 -2213.3373 -3379.4229 3379.4229 2102 0.0051589712 -2213.3374 -2213.3374 -3383.3876 3383.3876 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 = -2211.1828168 -2213.33734684 -2213.33736576 Force two-norm initial, final = 6.14217 0.00698718 Force max component initial, final = 2.8723 0.000728349 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 152 152 Pair time (%) = 0.137963 (89.6612) Neigh time (%) = 0 (0) Comm time (%) = 0.00127077 (0.825867) Outpt time (%) = 0.00100803 (0.655116) Other time (%) = 0.0136297 (8.85785) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14270 ave 14270 max 14270 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14270 Ave neighs/atom = 27.9256 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 -3383.423 3383.423 2103 3.1831135e-08 -2213.3374 -2213.3374 -3383.423 3383.423 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 = -2213.33736576 -2213.33736576 -2213.33736576 Force two-norm initial, final = 0.00698718 0.00698718 Force max component initial, final = 0.000728349 0.000728349 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186324 (90.0553) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.875778) Outpt time (%) = 0 (0) Other time (%) = 0.000187635 (9.06891) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2211.1515 -2211.1515 -3411.3121 3411.3121 2010 2.8288955 -2211.3176 -2211.3176 -3416.5366 3416.5366 2020 16.599047 -2212.1748 -2212.1748 -3435.2792 3435.2792 2030 0.1256942 -2212.9951 -2212.9951 -3129.9929 3129.9929 2040 0.065890006 -2213.1761 -2213.1761 -3529.6251 3529.6251 2050 0.97440671 -2213.2393 -2213.2393 -3316.4448 3316.4448 2060 0.1125836 -2213.2993 -2213.2993 -3424.6508 3424.6508 2070 0.42651893 -2213.3181 -2213.3181 -3405.3779 3405.3779 2080 0.0028848432 -2213.3224 -2213.3224 -3360.1994 3360.1994 2090 0.036169989 -2213.325 -2213.325 -3399.6606 3399.6606 2100 0.18784139 -2213.3327 -2213.3327 -3401.4666 3401.4666 2110 0.02965234 -2213.3306 -2213.3306 -3431.0604 3431.0604 2120 0.005448828 -2213.3363 -2213.3363 -3370.5526 3370.5526 2130 0.00023624964 -2213.3367 -2213.3367 -3387.3597 3387.3597 2140 0.0017709647 -2213.3368 -2213.3368 -3381.4302 3381.4302 2150 0.0072035971 -2213.3372 -2213.3372 -3383.8238 3383.8238 2160 1.4966449e-05 -2213.3373 -2213.3373 -3383.3659 3383.3659 2170 0.00033312175 -2213.3373 -2213.3373 -3383.4177 3383.4177 2171 0.00042024571 -2213.3374 -2213.3374 -3383.3761 3383.3761 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 = -2211.15151375 -2213.33734551 -2213.33735053 Force two-norm initial, final = 6.11763 0.00836675 Force max component initial, final = 2.82204 0.00218552 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.15195 (91.4391) Neigh time (%) = 0 (0) Comm time (%) = 0.00141478 (0.851372) Outpt time (%) = 0.00112939 (0.679634) Other time (%) = 0.011682 (7.02991) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14272 ave 14272 max 14272 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14272 Ave neighs/atom = 27.9295 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2171 0 -2213.3374 -2213.3374 -3383.3789 3383.3789 2172 4.5641736e-08 -2213.3374 -2213.3374 -3383.3789 3383.3789 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 = -2213.33735053 -2213.33735053 -2213.33735053 Force two-norm initial, final = 0.00836675 0.00836675 Force max component initial, final = 0.00218552 0.00218552 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186396 (90.173) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.77278) Outpt time (%) = 0 (0) Other time (%) = 0.000187159 (9.05421) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2211.2138 -2211.2138 -3404.7166 3404.7166 2060 2.7662541 -2211.3762 -2211.3762 -3410.2182 3410.2182 2070 16.233065 -2212.2132 -2212.2132 -3430.3201 3430.3201 2080 0.11853152 -2213.0185 -2213.0185 -3141.0086 3141.0086 2090 0.062269189 -2213.198 -2213.198 -3476.3077 3476.3077 2100 0.85743966 -2213.2491 -2213.2491 -3349.0942 3349.0942 2110 1.4940069 -2213.3134 -2213.3134 -3323.542 3323.542 2120 0.023038711 -2213.3245 -2213.3245 -3407.0222 3407.0222 2130 0.10298563 -2213.3309 -2213.3309 -3364.5733 3364.5733 2140 0.024597571 -2213.3339 -2213.3339 -3379.1835 3379.1835 2150 0.0076812584 -2213.3343 -2213.3343 -3382.6657 3382.6657 2160 0.02241453 -2213.3354 -2213.3354 -3374.5772 3374.5772 2170 0.06937067 -2213.3371 -2213.3371 -3379.067 3379.067 2180 0.00012847413 -2213.3371 -2213.3371 -3378.5757 3378.5757 2190 2.2549996e-06 -2213.3372 -2213.3372 -3384.7113 3384.7113 2200 0.00023913776 -2213.3372 -2213.3372 -3383.6109 3383.6109 2210 0.00094453778 -2213.3373 -2213.3373 -3384.2187 3384.2187 2213 0.0014387296 -2213.3373 -2213.3373 -3383.4343 3383.4343 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 = -2211.21379078 -2213.33731988 -2213.33733337 Force two-norm initial, final = 6.0479 0.00913629 Force max component initial, final = 2.83621 0.000928118 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.144986 (91.4203) Neigh time (%) = 0 (0) Comm time (%) = 0.00133538 (0.842019) Outpt time (%) = 0.00105834 (0.667331) Other time (%) = 0.0112131 (7.07034) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14270 ave 14270 max 14270 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14270 Ave neighs/atom = 27.9256 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 -3383.4441 3383.4441 2214 5.4423806e-08 -2213.3373 -2213.3373 -3383.4441 3383.4441 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 = -2213.33733337 -2213.33733337 -2213.33733337 Force two-norm initial, final = 0.00913629 0.00913629 Force max component initial, final = 0.000928118 0.000928118 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 (%) = 1.62125e-05 (0.782869) Outpt time (%) = 0 (0) Other time (%) = 0.000192642 (9.30233) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2906 -2213.2906 -3390.0754 3390.0754 1960 0.031920845 -2213.2924 -2213.2924 -3389.8034 3389.8034 1970 0.15656546 -2213.3005 -2213.3005 -3386.9625 3386.9625 1980 0.25232152 -2213.313 -2213.313 -3385.9628 3385.9628 1990 0.00041467541 -2213.3231 -2213.3231 -3384.2401 3384.2401 2000 0.027697769 -2213.3248 -2213.3248 -3384.9053 3384.9053 2010 0.13733943 -2213.332 -2213.332 -3382.5216 3382.5216 2020 0.023862317 -2213.3334 -2213.3334 -3384.0108 3384.0108 2030 0.00016752774 -2213.3344 -2213.3344 -3383.6976 3383.6976 2040 0.004865661 -2213.3347 -2213.3347 -3383.695 3383.695 2050 0.02780044 -2213.3363 -2213.3363 -3383.3417 3383.3417 2060 0.00032569599 -2213.3364 -2213.3364 -3383.4638 3383.4638 2070 0.0036707775 -2213.3366 -2213.3366 -3383.4532 3383.4532 2080 0.00029882594 -2213.3372 -2213.3372 -3383.3325 3383.3325 2090 0.00059927298 -2213.3373 -2213.3373 -3383.385 3383.385 2100 7.9917213e-05 -2213.3373 -2213.3373 -3383.3978 3383.3978 2110 1.5957617e-05 -2213.3373 -2213.3373 -3383.3992 3383.3992 2115 5.352699e-05 -2213.3373 -2213.3373 -3383.3974 3383.3974 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 = -2213.29056649 -2213.33733605 -2213.33733679 Force two-norm initial, final = 0.650226 0.0068591 Force max component initial, final = 0.0796245 0.000515545 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 165 165 Pair time (%) = 0.145021 (91.5937) Neigh time (%) = 0 (0) Comm time (%) = 0.00136805 (0.864042) Outpt time (%) = 0.00106573 (0.673104) Other time (%) = 0.0108759 (6.86912) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3977 3383.3977 2116 3.0674875e-08 -2213.3373 -2213.3373 -3383.3977 3383.3977 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 = -2213.33733679 -2213.33733679 -2213.33733679 Force two-norm initial, final = 0.0068591 0.0068591 Force max component initial, final = 0.000515545 0.000515545 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018549 (89.828) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.773583) Outpt time (%) = 0 (0) Other time (%) = 0.000194073 (9.39845) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2909 -2213.2909 -3389.7978 3389.7978 2010 0.029092338 -2213.2926 -2213.2926 -3389.499 3389.499 2020 0.18850322 -2213.3026 -2213.3026 -3387.4894 3387.4894 2030 0.36537775 -2213.3208 -2213.3208 -3384.8207 3384.8207 2040 0.0001763973 -2213.3304 -2213.3304 -3386.5537 3386.5537 2050 0.022768253 -2213.3315 -2213.3315 -3383.6657 3383.6657 2060 0.0063709913 -2213.3319 -2213.3319 -3384.1919 3384.1919 2070 0.034722966 -2213.3339 -2213.3339 -3383.0774 3383.0774 2080 2.4175031e-05 -2213.3354 -2213.3354 -3383.6954 3383.6954 2090 0.003300846 -2213.3356 -2213.3356 -3383.4908 3383.4908 2100 0.018000262 -2213.3367 -2213.3367 -3383.3095 3383.3095 2110 0.00015225243 -2213.3367 -2213.3367 -3383.4946 3383.4946 2120 0.0022328867 -2213.3369 -2213.3369 -3383.4432 3383.4432 2130 0.00010565957 -2213.3372 -2213.3372 -3383.5416 3383.5416 2140 0.00027867119 -2213.3373 -2213.3373 -3383.4285 3383.4285 2150 0.00012497622 -2213.3373 -2213.3373 -3383.4008 3383.4008 2159 9.3056878e-06 -2213.3373 -2213.3373 -3383.3968 3383.3968 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 = -2213.29091087 -2213.3373431 -2213.33734327 Force two-norm initial, final = 0.609316 0.00872177 Force max component initial, final = 0.0610932 0.00064683 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 159 159 Pair time (%) = 0.140346 (91.4321) Neigh time (%) = 0 (0) Comm time (%) = 0.00133443 (0.869352) Outpt time (%) = 0.00100446 (0.654383) Other time (%) = 0.0108125 (7.04413) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3969 3383.3969 2160 4.9597343e-08 -2213.3373 -2213.3373 -3383.3969 3383.3969 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 = -2213.33734327 -2213.33734327 -2213.33734327 Force two-norm initial, final = 0.00872177 0.00872177 Force max component initial, final = 0.00064683 0.00064683 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198817 (90.4938) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.770483) Outpt time (%) = 0 (0) Other time (%) = 0.000191927 (8.73576) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2901 -2213.2901 -3389.3146 3389.3146 2060 0.031430561 -2213.292 -2213.292 -3389.0668 3389.0668 2070 0.20141218 -2213.3027 -2213.3027 -3387.4853 3387.4853 2080 0.36383334 -2213.3204 -2213.3204 -3384.4502 3384.4502 2090 0.00014787273 -2213.3305 -2213.3305 -3386.3122 3386.3122 2100 3.9692144e-05 -2213.3313 -2213.3313 -3384.2604 3384.2604 2110 0.0058722814 -2213.3316 -2213.3316 -3384.2842 3384.2842 2120 0.03120725 -2213.3335 -2213.3335 -3383.3254 3383.3254 2130 0.018161215 -2213.3364 -2213.3364 -3383.111 3383.111 2140 0.0021161025 -2213.3366 -2213.3366 -3383.7112 3383.7112 2150 0.00013139842 -2213.337 -2213.337 -3383.8912 3383.8912 2160 0.00041986114 -2213.3371 -2213.3371 -3383.323 3383.323 2170 0.0016046174 -2213.3372 -2213.3372 -3383.2966 3383.2966 2180 1.4641687e-05 -2213.3372 -2213.3372 -3383.4673 3383.4673 2190 0.00029941659 -2213.3372 -2213.3372 -3383.3982 3383.3982 2200 0.0017752381 -2213.3373 -2213.3373 -3383.3382 3383.3382 2210 2.6197438e-05 -2213.3374 -2213.3374 -3383.367 3383.367 2212 5.8804864e-05 -2213.3374 -2213.3374 -3383.3811 3383.3811 Loop time of 0.156412 on 1 procs for 162 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29014077 -2213.3373713 -2213.33737209 Force two-norm initial, final = 0.63301 0.00674629 Force max component initial, final = 0.0711636 0.000520185 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 162 162 Pair time (%) = 0.142767 (91.2764) Neigh time (%) = 0 (0) Comm time (%) = 0.00133967 (0.856503) Outpt time (%) = 0.0010705 (0.684409) Other time (%) = 0.0112345 (7.18264) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3815 3383.3815 2213 2.9671001e-08 -2213.3374 -2213.3374 -3383.3815 3383.3815 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 = -2213.33737209 -2213.33737209 -2213.33737209 Force two-norm initial, final = 0.00674593 0.00674593 Force max component initial, final = 0.000513732 0.000513732 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185204 (89.6377) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.761597) Outpt time (%) = 0 (0) Other time (%) = 0.000198364 (9.60074) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2785 -2213.2785 -3393.1909 3393.1909 2010 0.016283888 -2213.2794 -2213.2794 -3392.6676 3392.6676 2020 0.1133935 -2213.2853 -2213.2853 -3388.1537 3388.1537 2030 0.38126259 -2213.3057 -2213.3057 -3386.6501 3386.6501 2040 0.17922089 -2213.3331 -2213.3331 -3381.1547 3381.1547 2050 0.00017605599 -2213.3345 -2213.3345 -3383.554 3383.554 2060 0.0065406776 -2213.3348 -2213.3348 -3383.3599 3383.3599 2070 0.03320888 -2213.3363 -2213.3363 -3383.2264 3383.2264 2080 0.00028712648 -2213.3369 -2213.3369 -3383.1365 3383.1365 2090 0.00016522329 -2213.3371 -2213.3371 -3383.6083 3383.6083 2100 0.00057145463 -2213.3372 -2213.3372 -3383.4469 3383.4469 2110 0.00029872629 -2213.3373 -2213.3373 -3383.4985 3383.4985 2120 5.3488585e-06 -2213.3373 -2213.3373 -3383.461 3383.461 2130 0.00028916765 -2213.3373 -2213.3373 -3383.427 3383.427 2132 0.00047094332 -2213.3373 -2213.3373 -3383.4297 3383.4297 Loop time of 0.127276 on 1 procs for 132 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27845982 -2213.33734087 -2213.33734567 Force two-norm initial, final = 0.459655 0.00924948 Force max component initial, final = 0.0415206 0.000848245 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 132 132 Pair time (%) = 0.116329 (91.3988) Neigh time (%) = 0 (0) Comm time (%) = 0.00108242 (0.850452) Outpt time (%) = 0.000863552 (0.678488) Other time (%) = 0.00900126 (7.07224) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3373 -2213.3373 -3383.4329 3383.4329 2133 5.4047321e-08 -2213.3373 -2213.3373 -3383.4329 3383.4329 Loop time of 0.002074 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734567 -2213.33734567 -2213.33734567 Force two-norm initial, final = 0.00910464 0.00910464 Force max component initial, final = 0.000709293 0.000709293 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018518 (89.2861) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.770203) Outpt time (%) = 0 (0) Other time (%) = 0.000206232 (9.94367) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2917 -2213.2917 -3394.4876 3394.4876 2060 0.015582959 -2213.2927 -2213.2927 -3393.6974 3393.6974 2070 0.10711606 -2213.2983 -2213.2983 -3387.3132 3387.3132 2080 0.30056637 -2213.3146 -2213.3146 -3387.7143 3387.7143 2090 0.21759891 -2213.3305 -2213.3305 -3381.4633 3381.4633 2100 0.00031072559 -2213.3321 -2213.3321 -3383.445 3383.445 2110 0.012341885 -2213.3327 -2213.3327 -3382.5392 3382.5392 2120 0.06429465 -2213.336 -2213.336 -3382.9108 3382.9108 2130 0.00012911607 -2213.3371 -2213.3371 -3383.5126 3383.5126 2140 0.0021959232 -2213.3372 -2213.3372 -3383.5466 3383.5466 2150 0.00034137391 -2213.3373 -2213.3373 -3383.4659 3383.4659 2159 6.2775953e-05 -2213.3374 -2213.3374 -3383.4563 3383.4563 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 = -2213.29174101 -2213.33735101 -2213.33735157 Force two-norm initial, final = 0.449794 0.00761038 Force max component initial, final = 0.0562533 0.000627572 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 109 109 Pair time (%) = 0.0971732 (89.334) Neigh time (%) = 0 (0) Comm time (%) = 0.000899553 (0.826984) Outpt time (%) = 0.00067234 (0.618101) Other time (%) = 0.01003 (9.22089) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.4567 3383.4567 2160 3.7762567e-08 -2213.3374 -2213.3374 -3383.4567 3383.4567 Loop time of 0.00225806 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735157 -2213.33735157 -2213.33735157 Force two-norm initial, final = 0.00761038 0.00761038 Force max component initial, final = 0.000627572 0.000627572 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0019908 (88.1639) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.760215) Outpt time (%) = 0 (0) Other time (%) = 0.000250101 (11.0759) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2912 -2213.2912 -3393.6683 3393.6683 2110 0.01596239 -2213.2921 -2213.2921 -3393.0081 3393.0081 2120 0.11111184 -2213.2979 -2213.2979 -3387.5715 3387.5715 2130 0.3061869 -2213.3144 -2213.3144 -3386.9821 3386.9821 2140 0.20277557 -2213.3305 -2213.3305 -3381.0809 3381.0809 2150 0.00029217173 -2213.3321 -2213.3321 -3383.2916 3383.2916 2160 0.012043525 -2213.3328 -2213.3328 -3382.589 3382.589 2170 0.064729016 -2213.336 -2213.336 -3382.8096 3382.8096 2180 0.00013606764 -2213.3371 -2213.3371 -3383.4519 3383.4519 2190 0.0021867543 -2213.3372 -2213.3372 -3383.5941 3383.5941 2200 0.00030136711 -2213.3373 -2213.3373 -3383.4662 3383.4662 2208 4.8321105e-05 -2213.3374 -2213.3374 -3383.4576 3383.4576 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 = -2213.29115938 -2213.33735165 -2213.33735218 Force two-norm initial, final = 0.454947 0.00819402 Force max component initial, final = 0.0602367 0.000719444 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 108 108 Pair time (%) = 0.0954046 (89.2341) Neigh time (%) = 0 (0) Comm time (%) = 0.000883341 (0.826209) Outpt time (%) = 0.000662088 (0.619266) Other time (%) = 0.00996494 (9.32044) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.4579 3383.4579 2209 4.3776685e-08 -2213.3374 -2213.3374 -3383.4579 3383.4579 Loop time of 0.00212407 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735218 -2213.33735218 -2213.33735218 Force two-norm initial, final = 0.00819402 0.00819402 Force max component initial, final = 0.000719444 0.000719444 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185323 (87.2488) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.85307) Outpt time (%) = 0 (0) Other time (%) = 0.000252724 (11.8981) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2844 -2213.2844 -3387.3386 3387.3386 2060 0.0085776798 -2213.2849 -2213.2849 -3387.3669 3387.3669 2070 0.078647239 -2213.2892 -2213.2892 -3387.2963 3387.2963 2080 0.39477568 -2213.3099 -2213.3099 -3382.3567 3382.3567 2090 0.057081168 -2213.3356 -2213.3356 -3382.9747 3382.9747 2100 2.5940549e-05 -2213.3361 -2213.3361 -3383.3546 3383.3546 2110 0.0027132571 -2213.3363 -2213.3363 -3383.8695 3383.8695 2120 0.010004395 -2213.3369 -2213.3369 -3383.3427 3383.3427 2130 6.711944e-05 -2213.3371 -2213.3371 -3383.3705 3383.3705 2140 0.0011113769 -2213.3371 -2213.3371 -3383.6655 3383.6655 2150 0.00016057573 -2213.3373 -2213.3373 -3383.7193 3383.7193 2160 0.00012775832 -2213.3373 -2213.3373 -3383.4463 3383.4463 2168 0.00042903649 -2213.3373 -2213.3373 -3383.4479 3383.4479 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 = -2213.28441419 -2213.33733525 -2213.33733995 Force two-norm initial, final = 0.329684 0.00843485 Force max component initial, final = 0.0290021 0.0007066 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 118 118 Pair time (%) = 0.104064 (88.9889) Neigh time (%) = 0 (0) Comm time (%) = 0.000974417 (0.833255) Outpt time (%) = 0.000736237 (0.62958) Other time (%) = 0.0111659 (9.54828) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.4509 3383.4509 2169 4.6387754e-08 -2213.3373 -2213.3373 -3383.4509 3383.4509 Loop time of 0.00209188 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733995 -2213.33733995 -2213.33733995 Force two-norm initial, final = 0.00843485 0.00843485 Force max component initial, final = 0.0007066 0.0007066 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018549 (88.6711) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.809209) Outpt time (%) = 0 (0) Other time (%) = 0.00022006 (10.5197) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3114 -2213.3114 -3386.639 3386.639 2110 0.0088036718 -2213.312 -2213.312 -3386.5815 3386.5815 2120 0.059512956 -2213.3152 -2213.3152 -3385.93 3385.93 2130 0.17633296 -2213.3244 -2213.3244 -3383.9588 3383.9588 2140 0.12903186 -2213.3354 -2213.3354 -3381.9175 3381.9175 2150 0.00010969142 -2213.3361 -2213.3361 -3382.9385 3382.9385 2160 0.0040324469 -2213.3363 -2213.3363 -3383.1722 3383.1722 2170 0.016454826 -2213.337 -2213.337 -3383.1753 3383.1753 2180 6.1389517e-05 -2213.3371 -2213.3371 -3383.2758 3383.2758 2190 0.00074421055 -2213.3372 -2213.3372 -3383.4133 3383.4133 2200 6.1663405e-05 -2213.3373 -2213.3373 -3383.4342 3383.4342 2210 6.7397547e-05 -2213.3373 -2213.3373 -3383.3772 3383.3772 2220 0.00038862725 -2213.3373 -2213.3373 -3383.3891 3383.3891 2224 0.00067339268 -2213.3374 -2213.3374 -3383.3729 3383.3729 Loop time of 0.124165 on 1 procs for 124 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3114491 -2213.33734973 -2213.33735757 Force two-norm initial, final = 0.338295 0.00675978 Force max component initial, final = 0.0488133 0.00058272 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 124 124 Pair time (%) = 0.110936 (89.3455) Neigh time (%) = 0 (0) Comm time (%) = 0.00102067 (0.822027) Outpt time (%) = 0.000807762 (0.650555) Other time (%) = 0.0114007 (9.18189) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3775 3383.3775 2225 2.9792957e-08 -2213.3374 -2213.3374 -3383.3775 3383.3775 Loop time of 0.00209904 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735757 -2213.33735757 -2213.33735757 Force two-norm initial, final = 0.00675978 0.00675978 Force max component initial, final = 0.00058272 0.00058272 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185418 (88.3348) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.715584) Outpt time (%) = 0 (0) Other time (%) = 0.000229836 (10.9496) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3114 -2213.3114 -3384.5025 3384.5025 2160 0.0096958392 -2213.312 -2213.312 -3384.7845 3384.7845 2170 0.060047867 -2213.3152 -2213.3152 -3386.6126 3386.6126 2180 0.17564129 -2213.3246 -2213.3246 -3382.9672 3382.9672 2190 0.042394437 -2213.3345 -2213.3345 -3383.0331 3383.0331 2200 0.011536236 -2213.335 -2213.335 -3382.6351 3382.6351 2210 0.00047180129 -2213.3366 -2213.3366 -3382.6646 3382.6646 2220 0.00096180842 -2213.3369 -2213.3369 -3383.5039 3383.5039 2230 0.0035256541 -2213.337 -2213.337 -3383.5385 3383.5385 2240 3.3338449e-06 -2213.3372 -2213.3372 -3383.4597 3383.4597 2250 0.00033084085 -2213.3372 -2213.3372 -3383.3582 3383.3582 2260 0.0017833614 -2213.3373 -2213.3373 -3383.2676 3383.2676 2270 0.00015096167 -2213.3374 -2213.3374 -3383.2674 3383.2674 2273 0.00037118459 -2213.3374 -2213.3374 -3383.391 3383.391 Loop time of 0.122514 on 1 procs for 123 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31143772 -2213.33737891 -2213.3373804 Force two-norm initial, final = 0.356425 0.00358424 Force max component initial, final = 0.0387666 0.000328399 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 123 123 Pair time (%) = 0.108982 (88.955) Neigh time (%) = 0 (0) Comm time (%) = 0.00100803 (0.822791) Outpt time (%) = 0.000799894 (0.6529) Other time (%) = 0.0117238 (9.56932) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3936 3383.3936 2274 8.3761119e-09 -2213.3374 -2213.3374 -3383.3936 3383.3936 Loop time of 0.00209713 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373804 -2213.3373804 -2213.3373804 Force two-norm initial, final = 0.00358424 0.00358424 Force max component initial, final = 0.000328399 0.000328399 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018518 (88.3015) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.807185) Outpt time (%) = 0 (0) Other time (%) = 0.000228405 (10.8913) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2911 -2213.2911 -3386.1543 3386.1543 2110 0.0067458181 -2213.2915 -2213.2915 -3386.1894 3386.1894 2120 0.062212323 -2213.295 -2213.295 -3386.328 3386.328 2130 0.30906102 -2213.3116 -2213.3116 -3382.651 3382.651 2140 0.023065831 -2213.334 -2213.334 -3382.4255 3382.4255 2150 0.013142433 -2213.3356 -2213.3356 -3383.2813 3383.2813 2160 0.0046662901 -2213.3367 -2213.3367 -3383.6018 3383.6018 2170 0.00045771326 -2213.3368 -2213.3368 -3383.4129 3383.4129 2180 0.0030198721 -2213.337 -2213.337 -3383.3961 3383.3961 2190 0.00074665208 -2213.3372 -2213.3372 -3383.2216 3383.2216 2200 0.0004124141 -2213.3373 -2213.3373 -3383.3001 3383.3001 2210 5.0529423e-05 -2213.3373 -2213.3373 -3383.3606 3383.3606 2212 9.7858008e-05 -2213.3373 -2213.3373 -3383.3556 3383.3556 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 = -2213.29114135 -2213.33732637 -2213.33732761 Force two-norm initial, final = 0.292372 0.00977757 Force max component initial, final = 0.0269891 0.000868219 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 112 112 Pair time (%) = 0.0990222 (89.1362) Neigh time (%) = 0 (0) Comm time (%) = 0.000916958 (0.825412) Outpt time (%) = 0.000734329 (0.661017) Other time (%) = 0.0104175 (9.37742) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3373 -2213.3373 -3383.3563 3383.3563 2213 6.3011642e-08 -2213.3373 -2213.3373 -3383.3563 3383.3563 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 = -2213.33732761 -2213.33732761 -2213.33732761 Force two-norm initial, final = 0.00983073 0.00983073 Force max component initial, final = 0.000861258 0.000861258 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185513 (87.5844) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.855471) Outpt time (%) = 0 (0) Other time (%) = 0.000244856 (11.5601) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3151 -2213.3151 -3383.8638 3383.8638 2160 0.0040193476 -2213.3153 -2213.3153 -3383.9302 3383.9302 2170 0.036935528 -2213.3174 -2213.3174 -3384.3476 3384.3476 2180 0.17823196 -2213.3267 -2213.3267 -3381.9544 3381.9544 2190 0.013386386 -2213.3358 -2213.3358 -3382.5253 3382.5253 2200 0.0043354135 -2213.3365 -2213.3365 -3383.7595 3383.7595 2210 0.0021843682 -2213.3369 -2213.3369 -3384.112 3384.112 2220 0.00064343065 -2213.337 -2213.337 -3383.7981 3383.7981 2230 0.0032841067 -2213.3372 -2213.3372 -3383.6815 3383.6815 2240 0.00035743376 -2213.3373 -2213.3373 -3383.4579 3383.4579 2250 0.00013485505 -2213.3374 -2213.3374 -3383.4728 3383.4728 2255 0.00034776884 -2213.3374 -2213.3374 -3383.4455 3383.4455 Loop time of 0.104316 on 1 procs for 105 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31507143 -2213.33736331 -2213.33736629 Force two-norm initial, final = 0.225604 0.0081075 Force max component initial, final = 0.0177167 0.000640055 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 105 105 Pair time (%) = 0.0931647 (89.3101) Neigh time (%) = 0 (0) Comm time (%) = 0.000881195 (0.844736) Outpt time (%) = 0.000665426 (0.637895) Other time (%) = 0.00960469 (9.20731) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.4479 3383.4479 2256 4.2857055e-08 -2213.3374 -2213.3374 -3383.4479 3383.4479 Loop time of 0.00212884 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736629 -2213.33736629 -2213.33736629 Force two-norm initial, final = 0.0081075 0.0081075 Force max component initial, final = 0.000640055 0.000640055 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001863 (87.5126) Neigh time (%) = 0 (0) Comm time (%) = 1.78814e-05 (0.83996) Outpt time (%) = 0 (0) Other time (%) = 0.000247955 (11.6474) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3127 -2213.3127 -3381.0479 3381.0479 2210 0.0074284666 -2213.3131 -2213.3131 -3381.5263 3381.5263 2220 0.053618384 -2213.316 -2213.316 -3384.9061 3384.9061 2230 0.1922799 -2213.326 -2213.326 -3380.3723 3380.3723 2240 0.071121573 -2213.336 -2213.336 -3381.631 3381.631 2250 6.1072974e-05 -2213.3365 -2213.3365 -3383.3667 3383.3667 2260 0.0022713211 -2213.3366 -2213.3366 -3384.1055 3384.1055 2270 0.0097434326 -2213.3371 -2213.3371 -3383.3925 3383.3925 2280 3.7073938e-05 -2213.3373 -2213.3373 -3383.3793 3383.3793 2290 0.00081973315 -2213.3373 -2213.3373 -3383.2406 3383.2406 2300 7.8596649e-05 -2213.3374 -2213.3374 -3383.3905 3383.3905 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 = -2213.3126737 -2213.33736957 -2213.33737068 Force two-norm initial, final = 0.309961 0.00588412 Force max component initial, final = 0.0625707 0.000553778 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 100 100 Pair time (%) = 0.0914249 (88.1433) Neigh time (%) = 0 (0) Comm time (%) = 0.000838041 (0.807961) Outpt time (%) = 0.000614405 (0.592351) Other time (%) = 0.0108457 (10.4564) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3911 3383.3911 2301 2.2574191e-08 -2213.3374 -2213.3374 -3383.3911 3383.3911 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 = -2213.33737068 -2213.33737068 -2213.33737068 Force two-norm initial, final = 0.00588412 0.00588412 Force max component initial, final = 0.000553778 0.000553778 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00188804 (87.5705) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.729846) Outpt time (%) = 0 (0) Other time (%) = 0.000252247 (11.6997) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2676 -2213.2676 -3389.2515 3389.2515 2160 0.012787566 -2213.2684 -2213.2684 -3389.2272 3389.2272 2170 0.10347022 -2213.2739 -2213.2739 -3389.0431 3389.0431 2180 0.26466815 -2213.2894 -2213.2894 -3387.1241 3387.1241 2190 0.074396939 -2213.3172 -2213.3172 -3385.7379 3385.7379 2200 0.045669436 -2213.3263 -2213.3263 -3384.3238 3384.3238 2210 0.0045255401 -2213.3321 -2213.3321 -3383.3863 3383.3863 2220 0.0018888083 -2213.3331 -2213.3331 -3383.986 3383.986 2230 0.019594347 -2213.3342 -2213.3342 -3383.597 3383.597 2240 0.0019972565 -2213.3364 -2213.3364 -3383.4174 3383.4174 2250 0.0011644011 -2213.3366 -2213.3366 -3383.4621 3383.4621 2260 0.0059437752 -2213.3369 -2213.3369 -3383.4213 3383.4213 2270 2.345448e-05 -2213.3372 -2213.3372 -3383.4237 3383.4237 2280 0.00061898737 -2213.3372 -2213.3372 -3383.4053 3383.4053 2286 0.0018761348 -2213.3373 -2213.3373 -3383.3854 3383.3854 Loop time of 0.134729 on 1 procs for 136 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26760672 -2213.33727715 -2213.3372954 Force two-norm initial, final = 0.40424 0.00959202 Force max component initial, final = 0.0557971 0.000728841 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 136 136 Pair time (%) = 0.120157 (89.1843) Neigh time (%) = 0 (0) Comm time (%) = 0.00111103 (0.824642) Outpt time (%) = 0.00087738 (0.651219) Other time (%) = 0.0125835 (9.33986) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3373 -2213.3373 -3383.3982 3383.3982 2290 1.3357135e-06 -2213.3373 -2213.3373 -3383.3984 3383.3984 2300 2.8195007e-05 -2213.3373 -2213.3373 -3383.4012 3383.4012 2310 0.00022713212 -2213.3373 -2213.3373 -3383.406 3383.406 2320 0.0013526357 -2213.3373 -2213.3373 -3383.4019 3383.4019 2330 7.5667854e-05 -2213.3372 -2213.3372 -3383.4184 3383.4184 2340 0.00081398387 -2213.3372 -2213.3372 -3383.4211 3383.4211 2350 3.6640169e-06 -2213.3371 -2213.3371 -3383.4302 3383.4302 2360 0.00059692309 -2213.337 -2213.337 -3383.4261 3383.4261 2370 0.0080812928 -2213.3366 -2213.3366 -3383.4143 3383.4143 2380 0.002932482 -2213.3345 -2213.3345 -3383.5201 3383.5201 2390 0.037660967 -2213.3344 -2213.3344 -3383.3375 3383.3375 2400 0.032707884 -2213.3324 -2213.3324 -3383.5713 3383.5713 2410 0.0050099263 -2213.3327 -2213.3327 -3383.8609 3383.8609 2420 0.010982837 -2213.3319 -2213.3319 -3383.9898 3383.9898 2430 0.0024877105 -2213.332 -2213.332 -3384.028 3384.028 2440 0.02312688 -2213.3309 -2213.3309 -3383.9451 3383.9451 2450 0.18277639 -2213.3119 -2213.3119 -3383.8304 3383.8304 2460 0.019671401 -2213.3188 -2213.3188 -3385.2661 3385.2661 2470 0.013079766 -2213.3111 -2213.3111 -3385.6969 3385.6969 2480 0.0052743751 -2213.3133 -2213.3133 -3386.044 3386.044 2486 0.029413489 -2213.3121 -2213.3121 -3386.0119 3386.0119 Loop time of 0.19788 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.3372954 -2213.31244894 -2213.31208125 Force two-norm initial, final = 0.0113195 0.18841 Force max component initial, final = 0.00101231 0.0149382 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.175001 (88.4381) Neigh time (%) = 0 (0) Comm time (%) = 0.0016458 (0.831718) Outpt time (%) = 0.00140119 (0.708099) Other time (%) = 0.0198317 (10.0221) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3246 -2213.3246 -3382.2982 3382.2982 2210 0.0056262143 -2213.3249 -2213.3249 -3382.5301 3382.5301 2220 0.038561989 -2213.327 -2213.327 -3384.2685 3384.2685 2230 0.10392669 -2213.3325 -2213.3325 -3383.2459 3383.2459 2240 0.045069421 -2213.3358 -2213.3358 -3382.8919 3382.8919 2250 0.0087958211 -2213.3363 -2213.3363 -3382.8793 3382.8793 2260 0.00069316525 -2213.3369 -2213.3369 -3382.9609 3382.9609 2270 0.0012704912 -2213.3372 -2213.3372 -3383.5325 3383.5325 2280 0.00018447662 -2213.3372 -2213.3372 -3383.3884 3383.3884 2290 0.0009476207 -2213.3373 -2213.3373 -3383.4286 3383.4286 2300 0.0033213269 -2213.3373 -2213.3373 -3383.248 3383.248 2310 0.00026659643 -2213.3374 -2213.3374 -3383.412 3383.412 2320 3.246168e-05 -2213.3374 -2213.3374 -3383.4008 3383.4008 2329 0.00017090688 -2213.3374 -2213.3374 -3383.3934 3383.3934 Loop time of 0.130171 on 1 procs for 129 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32459851 -2213.33737684 -2213.33737825 Force two-norm initial, final = 0.270476 0.00471248 Force max component initial, final = 0.0260982 0.00041864 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 129 129 Pair time (%) = 0.114435 (87.9116) Neigh time (%) = 0 (0) Comm time (%) = 0.00110102 (0.845825) Outpt time (%) = 0.000831127 (0.63849) Other time (%) = 0.0138035 (10.6041) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3945 3383.3945 2330 1.4479341e-08 -2213.3374 -2213.3374 -3383.3945 3383.3945 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 = -2213.33737825 -2213.33737825 -2213.33737825 Force two-norm initial, final = 0.00471248 0.00471248 Force max component initial, final = 0.00041864 0.00041864 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00202107 (88.4495) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.699082) Outpt time (%) = 0 (0) Other time (%) = 0.000247955 (10.8514) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3232 -2213.3232 -3386.1307 3386.1307 2260 0.014315687 -2213.324 -2213.324 -3385.6591 3385.6591 2270 0.072452573 -2213.3279 -2213.3279 -3382.4101 3382.4101 2280 0.096531741 -2213.3322 -2213.3322 -3386.641 3386.641 2290 0.087694645 -2213.3356 -2213.3356 -3382.4249 3382.4249 2300 0.014852204 -2213.3362 -2213.3362 -3383.0975 3383.0975 2310 0.0052387353 -2213.3365 -2213.3365 -3383.2482 3383.2482 2320 0.010182615 -2213.3369 -2213.3369 -3383.2259 3383.2259 2330 0.00012705652 -2213.3372 -2213.3372 -3383.4635 3383.4635 2340 0.00071023099 -2213.3372 -2213.3372 -3383.3459 3383.3459 2350 0.00032149007 -2213.3372 -2213.3372 -3383.1807 3383.1807 2360 4.2784636e-05 -2213.3373 -2213.3373 -3383.405 3383.405 2370 0.00037796845 -2213.3374 -2213.3374 -3383.4226 3383.4226 2380 0.0001355775 -2213.3374 -2213.3374 -3383.334 3383.334 2381 0.00024895216 -2213.3374 -2213.3374 -3383.3858 3383.3858 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 = -2213.32316367 -2213.33738474 -2213.33738834 Force two-norm initial, final = 0.435061 0.00351724 Force max component initial, final = 0.0495842 0.000262112 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 131 131 Pair time (%) = 0.117797 (88.3957) Neigh time (%) = 0 (0) Comm time (%) = 0.00109673 (0.822989) Outpt time (%) = 0.000886917 (0.665548) Other time (%) = 0.0134804 (10.1158) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3875 3383.3875 2382 8.0658909e-09 -2213.3374 -2213.3374 -3383.3875 3383.3875 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 = -2213.33738834 -2213.33738834 -2213.33738834 Force two-norm initial, final = 0.00351724 0.00351724 Force max component initial, final = 0.000262112 0.000262112 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185609 (89.2366) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.813847) Outpt time (%) = 0 (0) Other time (%) = 0.000206947 (9.94956) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2622 -2213.2622 -3390.6318 3390.6318 2210 0.015953916 -2213.2631 -2213.2631 -3390.5775 3390.5775 2220 0.13321139 -2213.2702 -2213.2702 -3389.9763 3389.9763 2230 0.39211617 -2213.2916 -2213.2916 -3385.6388 3385.6388 2240 0.053659551 -2213.3264 -2213.3264 -3383.4774 3383.4774 2250 0.02712672 -2213.3286 -2213.3286 -3383.4865 3383.4865 2260 0.097540758 -2213.3342 -2213.3342 -3382.6944 3382.6944 2270 0.0012900165 -2213.3353 -2213.3353 -3383.4962 3383.4962 2280 0.009441237 -2213.3359 -2213.3359 -3383.4775 3383.4775 2290 0.0015542643 -2213.3366 -2213.3366 -3383.4589 3383.4589 2300 0.00020768622 -2213.3369 -2213.3369 -3383.5181 3383.5181 2310 0.00051487559 -2213.337 -2213.337 -3383.4127 3383.4127 2320 8.9971488e-05 -2213.337 -2213.337 -3383.4345 3383.4345 2330 0.00052580116 -2213.3371 -2213.3371 -3383.4252 3383.4252 2340 0.00010103232 -2213.3372 -2213.3372 -3383.5146 3383.5146 2342 0.00076391902 -2213.3372 -2213.3372 -3383.4316 3383.4316 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 = -2213.2621997 -2213.33723319 -2213.33724675 Force two-norm initial, final = 0.450866 0.00924409 Force max component initial, final = 0.0607718 0.000624226 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 142 142 Pair time (%) = 0.126289 (90.0719) Neigh time (%) = 0 (0) Comm time (%) = 0.00118184 (0.842914) Outpt time (%) = 0.000960827 (0.685282) Other time (%) = 0.0117774 (8.39989) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3372 -2213.3372 -3383.4369 3383.4369 2350 9.6780866e-06 -2213.3372 -2213.3372 -3383.4343 3383.4343 2360 0.00010800832 -2213.3372 -2213.3372 -3383.4101 3383.4101 2370 0.00079815292 -2213.3372 -2213.3372 -3383.4233 3383.4233 2380 0.00069406875 -2213.3369 -2213.3369 -3383.5334 3383.5334 2390 0.00052400021 -2213.3369 -2213.3369 -3383.4618 3383.4618 2400 0.0047528095 -2213.3366 -2213.3366 -3383.48 3383.48 2410 0.0002406837 -2213.3365 -2213.3365 -3383.4932 3383.4932 2420 0.0043676332 -2213.3363 -2213.3363 -3383.4713 3383.4713 2430 0.059783707 -2213.3323 -2213.3323 -3383.4745 3383.4745 2440 0.042863373 -2213.331 -2213.331 -3383.63 3383.63 2450 0.20026891 -2213.3153 -2213.3153 -3381.4043 3381.4043 2460 0.027345076 -2213.3214 -2213.3214 -3384.4521 3384.4521 2470 0.14350009 -2213.3287 -2213.3287 -3382.4644 3382.4644 2480 0.016973519 -2213.3356 -2213.3356 -3383.4884 3383.4884 2490 0.0020385556 -2213.336 -2213.336 -3383.5655 3383.5655 2500 0.0064805254 -2213.3358 -2213.3358 -3383.4861 3383.4861 2510 0.00013370696 -2213.3355 -2213.3355 -3383.5532 3383.5532 2520 0.0039278802 -2213.3355 -2213.3355 -3383.5501 3383.5501 2530 0.022261343 -2213.3335 -2213.3335 -3383.6148 3383.6148 2540 0.0047728027 -2213.333 -2213.333 -3383.7666 3383.7666 2542 0.0068744955 -2213.3331 -2213.3331 -3383.7646 3383.7646 Loop time of 0.196105 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33724675 -2213.33306866 -2213.33306838 Force two-norm initial, final = 0.014739 0.0770415 Force max component initial, final = 0.00100728 0.00651434 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176663 (90.0859) Neigh time (%) = 0 (0) Comm time (%) = 0.00162578 (0.829034) Outpt time (%) = 0.00143266 (0.730556) Other time (%) = 0.0163836 (8.35453) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3227 -2213.3227 -3386.3184 3386.3184 2260 0.017094457 -2213.3237 -2213.3237 -3386.0292 3386.0292 2270 0.089142586 -2213.3286 -2213.3286 -3383.9095 3383.9095 2280 0.087625923 -2213.3314 -2213.3314 -3385.2329 3385.2329 2290 0.11283861 -2213.335 -2213.335 -3382.1942 3382.1942 2300 0.014946392 -2213.3358 -2213.3358 -3383.0762 3383.0762 2310 0.0016022619 -2213.3364 -2213.3364 -3383.1777 3383.1777 2320 0.0029099746 -2213.3371 -2213.3371 -3383.3735 3383.3735 2330 0.00036655362 -2213.3371 -2213.3371 -3383.385 3383.385 2340 0.0010027922 -2213.3372 -2213.3372 -3383.4082 3383.4082 2350 0.0079753891 -2213.3372 -2213.3372 -3383.2324 3383.2324 2360 0.00082119339 -2213.3374 -2213.3374 -3383.3931 3383.3931 2370 5.6224968e-05 -2213.3374 -2213.3374 -3383.393 3383.393 2380 0.00018922205 -2213.3374 -2213.3374 -3383.3903 3383.3903 2390 0.00033430037 -2213.3374 -2213.3374 -3383.3663 3383.3663 2398 0.00014342882 -2213.3374 -2213.3374 -3383.3954 3383.3954 Loop time of 0.143041 on 1 procs for 148 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32272121 -2213.33738656 -2213.3373873 Force two-norm initial, final = 0.474533 0.00215837 Force max component initial, final = 0.0642964 0.000324592 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 148 148 Pair time (%) = 0.13023 (91.044) Neigh time (%) = 0 (0) Comm time (%) = 0.00121212 (0.847393) Outpt time (%) = 0.000930786 (0.650712) Other time (%) = 0.0106678 (7.45786) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3964 3383.3964 2399 3.037401e-09 -2213.3374 -2213.3374 -3383.3964 3383.3964 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 = -2213.3373873 -2213.3373873 -2213.3373873 Force two-norm initial, final = 0.00215837 0.00215837 Force max component initial, final = 0.000324592 0.000324592 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185394 (88.8686) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.72) Outpt time (%) = 0 (0) Other time (%) = 0.000217199 (10.4114) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3112 -2213.3112 -3388.7247 3388.7247 2310 0.013352856 -2213.3119 -2213.3119 -3388.3346 3388.3346 2320 0.097513749 -2213.3172 -2213.3172 -3385.5408 3385.5408 2330 0.17325116 -2213.3258 -2213.3258 -3386.0766 3386.0766 2340 0.086103203 -2213.3324 -2213.3324 -3384.0614 3384.0614 2350 0.024440072 -2213.3341 -2213.3341 -3384.6897 3384.6897 2360 0.000624337 -2213.3368 -2213.3368 -3384.6263 3384.6263 2370 0.0011088582 -2213.3371 -2213.3371 -3383.0259 3383.0259 2380 0.0029960442 -2213.3372 -2213.3372 -3382.9497 3382.9497 2390 1.6451912e-05 -2213.3372 -2213.3372 -3383.4551 3383.4551 2400 0.00032203674 -2213.3373 -2213.3373 -3383.226 3383.226 2410 0.0015358489 -2213.3373 -2213.3373 -3383.2877 3383.2877 2420 1.3253897e-05 -2213.3373 -2213.3373 -3383.3951 3383.3951 2430 0.00013308092 -2213.3374 -2213.3374 -3383.3817 3383.3817 2438 0.00051308931 -2213.3374 -2213.3374 -3383.3774 3383.3774 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 = -2213.31115729 -2213.33737718 -2213.33738184 Force two-norm initial, final = 0.414533 0.00349266 Force max component initial, final = 0.0572001 0.000240964 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.1221 (91.423) Neigh time (%) = 0 (0) Comm time (%) = 0.0011425 (0.855455) Outpt time (%) = 0.000879526 (0.65855) Other time (%) = 0.00943303 (7.06303) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.381 3383.381 2439 7.9535617e-09 -2213.3374 -2213.3374 -3383.381 3383.381 Loop time of 0.00205779 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738184 -2213.33738184 -2213.33738184 Force two-norm initial, final = 0.00349266 0.00349266 Force max component initial, final = 0.000240964 0.000240964 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184989 (89.8969) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.718341) Outpt time (%) = 0 (0) Other time (%) = 0.000193119 (9.38478) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2972 -2213.2972 -3390.057 3390.057 2260 0.012140032 -2213.2979 -2213.2979 -3389.9634 3389.9634 2270 0.09514099 -2213.303 -2213.303 -3388.676 3388.676 2280 0.28856038 -2213.3185 -2213.3185 -3382.2095 3382.2095 2290 0.051264396 -2213.3331 -2213.3331 -3383.0886 3383.0886 2300 0.015528944 -2213.3338 -2213.3338 -3383.2233 3383.2233 2310 0.00056162092 -2213.3359 -2213.3359 -3383.3211 3383.3211 2320 0.0016055529 -2213.3363 -2213.3363 -3383.3755 3383.3755 2330 0.0080920904 -2213.3367 -2213.3367 -3383.3001 3383.3001 2340 0.0018843787 -2213.3368 -2213.3368 -3383.42 3383.42 2350 0.00072336922 -2213.337 -2213.337 -3383.3981 3383.3981 2360 0.00013144678 -2213.3372 -2213.3372 -3383.342 3383.342 2370 6.9584721e-05 -2213.3372 -2213.3372 -3383.3998 3383.3998 2380 0.00073747144 -2213.3372 -2213.3372 -3383.3849 3383.3849 2389 0.0022308561 -2213.3374 -2213.3374 -3383.3872 3383.3872 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 = -2213.29720275 -2213.33733872 -2213.33735458 Force two-norm initial, final = 0.394746 0.0078449 Force max component initial, final = 0.0477872 0.000555074 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 139 139 Pair time (%) = 0.122493 (91.5539) Neigh time (%) = 0 (0) Comm time (%) = 0.00116658 (0.87193) Outpt time (%) = 0.000859022 (0.642053) Other time (%) = 0.00927472 (6.93214) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.4025 3383.4025 2390 4.0125747e-08 -2213.3374 -2213.3374 -3383.4025 3383.4025 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 = -2213.33735458 -2213.33735458 -2213.33735458 Force two-norm initial, final = 0.0078449 0.0078449 Force max component initial, final = 0.000555074 0.000555074 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198984 (90.6977) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.771571) Outpt time (%) = 0 (0) Other time (%) = 0.000187159 (8.53075) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3262 -2213.3262 -3388.5422 3388.5422 2310 0.010076138 -2213.3268 -2213.3268 -3388.0745 3388.0745 2320 0.052057368 -2213.3296 -2213.3296 -3384.4622 3384.4622 2330 0.079834811 -2213.3329 -2213.3329 -3385.3655 3385.3655 2340 0.12731886 -2213.3357 -2213.3357 -3383.439 3383.439 2350 8.9247437e-05 -2213.3366 -2213.3366 -3383.4956 3383.4956 2360 0.0034168914 -2213.3368 -2213.3368 -3382.731 3382.731 2370 0.012475921 -2213.3373 -2213.3373 -3383.2562 3383.2562 2380 0.00092646035 -2213.3373 -2213.3373 -3383.2539 3383.2539 2390 7.1396928e-07 -2213.3374 -2213.3374 -3383.4183 3383.4183 2400 6.8389531e-05 -2213.3374 -2213.3374 -3383.4796 3383.4796 2409 0.00020280657 -2213.3374 -2213.3374 -3383.4072 3383.4072 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 = -2213.3261892 -2213.3373836 -2213.33738458 Force two-norm initial, final = 0.36424 0.00307403 Force max component initial, final = 0.0427802 0.000263084 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 109 109 Pair time (%) = 0.0963602 (91.0226) Neigh time (%) = 0 (0) Comm time (%) = 0.000890732 (0.841392) Outpt time (%) = 0.000663042 (0.626315) Other time (%) = 0.00795007 (7.5097) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.4086 3383.4086 2410 6.1611765e-09 -2213.3374 -2213.3374 -3383.4086 3383.4086 Loop time of 0.00221014 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738458 -2213.33738458 -2213.33738458 Force two-norm initial, final = 0.00307403 0.00307403 Force max component initial, final = 0.000263084 0.000263084 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00199008 (90.0431) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.776699) Outpt time (%) = 0 (0) Other time (%) = 0.000202894 (9.18015) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3217 -2213.3217 -3387.0495 3387.0495 2360 0.0082433664 -2213.3222 -2213.3222 -3386.9198 3386.9198 2370 0.054484809 -2213.3252 -2213.3252 -3385.7355 3385.7355 2380 0.10472742 -2213.33 -2213.33 -3383.4323 3383.4323 2390 0.034481822 -2213.3334 -2213.3334 -3380.9345 3380.9345 2400 0.015778007 -2213.3365 -2213.3365 -3383.1399 3383.1399 2410 0.0032576566 -2213.3367 -2213.3367 -3382.9273 3382.9273 2420 0.0088534732 -2213.337 -2213.337 -3383.4952 3383.4952 2430 2.6162297e-05 -2213.3373 -2213.3373 -3383.7701 3383.7701 2440 6.5443717e-06 -2213.3373 -2213.3373 -3383.3665 3383.3665 2450 0.00014787732 -2213.3373 -2213.3373 -3383.4088 3383.4088 2460 0.0007300908 -2213.3374 -2213.3374 -3383.3734 3383.3734 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 = -2213.3217006 -2213.33735271 -2213.33735747 Force two-norm initial, final = 0.326792 0.00602503 Force max component initial, final = 0.0748927 0.000524997 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 110 110 Pair time (%) = 0.0977612 (91.1968) Neigh time (%) = 0 (0) Comm time (%) = 0.00092411 (0.862059) Outpt time (%) = 0.00066638 (0.621635) Other time (%) = 0.00784636 (7.3195) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3784 3383.3784 2461 2.3668304e-08 -2213.3374 -2213.3374 -3383.3784 3383.3784 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 = -2213.33735747 -2213.33735747 -2213.33735747 Force two-norm initial, final = 0.00602503 0.00602503 Force max component initial, final = 0.000524997 0.000524997 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 (%) = 1.71661e-05 (0.834589) Outpt time (%) = 0 (0) Other time (%) = 0.000188589 (9.16889) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.317 -2213.317 -3387.4415 3387.4415 2310 0.011707248 -2213.3177 -2213.3177 -3387.2899 3387.2899 2320 0.055840245 -2213.3207 -2213.3207 -3385.89 3385.89 2330 0.074583905 -2213.3243 -2213.3243 -3383.9377 3383.9377 2340 0.00026320544 -2213.3286 -2213.3286 -3384.823 3384.823 2350 0.027951687 -2213.3297 -2213.3297 -3384.3038 3384.3038 2360 0.12026711 -2213.3346 -2213.3346 -3383.1559 3383.1559 2370 0.017625009 -2213.3357 -2213.3357 -3383.6634 3383.6634 2380 0.0049249503 -2213.3362 -2213.3362 -3383.8498 3383.8498 2390 0.00084811223 -2213.337 -2213.337 -3383.5073 3383.5073 2400 0.00026221293 -2213.3371 -2213.3371 -3383.4172 3383.4172 2410 0.0018792465 -2213.3372 -2213.3372 -3383.4209 3383.4209 2420 7.8988476e-06 -2213.3373 -2213.3373 -3383.4491 3383.4491 2425 0.00020104765 -2213.3373 -2213.3373 -3383.386 3383.386 Loop time of 0.120389 on 1 procs for 125 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31698788 -2213.33732308 -2213.3373246 Force two-norm initial, final = 0.394127 0.00996228 Force max component initial, final = 0.0413107 0.000746793 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 125 125 Pair time (%) = 0.110167 (91.5092) Neigh time (%) = 0 (0) Comm time (%) = 0.00103188 (0.857118) Outpt time (%) = 0.00079751 (0.662444) Other time (%) = 0.00839257 (6.97121) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3373 -2213.3373 -3383.3874 3383.3874 2426 6.3407615e-08 -2213.3373 -2213.3373 -3383.3874 3383.3874 Loop time of 0.00207186 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373246 -2213.3373246 -2213.3373246 Force two-norm initial, final = 0.00986158 0.00986158 Force max component initial, final = 0.000927887 0.000927887 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.3441) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.759494) Outpt time (%) = 0 (0) Other time (%) = 0.00020504 (9.89643) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3187 -2213.3187 -3389.1399 3389.1399 2360 0.0092128323 -2213.3192 -2213.3192 -3388.8647 3388.8647 2370 0.062130073 -2213.3226 -2213.3226 -3386.3827 3386.3827 2380 0.15498301 -2213.3306 -2213.3306 -3383.8216 3383.8216 2390 0.043811441 -2213.3358 -2213.3358 -3382.4464 3382.4464 2400 0.0075929156 -2213.3362 -2213.3362 -3382.9261 3382.9261 2410 0.00056512159 -2213.3369 -2213.3369 -3383.4225 3383.4225 2420 0.0010533813 -2213.3371 -2213.3371 -3383.4267 3383.4267 2430 0.00016356395 -2213.3372 -2213.3372 -3383.4183 3383.4183 2440 0.00090449786 -2213.3372 -2213.3372 -3383.3805 3383.3805 2450 0.0036774493 -2213.3373 -2213.3373 -3383.3944 3383.3944 2460 0.00025243484 -2213.3374 -2213.3374 -3383.4074 3383.4074 2470 2.5185959e-05 -2213.3374 -2213.3374 -3383.4067 3383.4067 2478 9.9899669e-05 -2213.3374 -2213.3374 -3383.3995 3383.3995 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 = -2213.31870587 -2213.33737417 -2213.33737529 Force two-norm initial, final = 0.34598 0.00491573 Force max component initial, final = 0.0441685 0.00045042 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 128 128 Pair time (%) = 0.113815 (90.8528) Neigh time (%) = 0 (0) Comm time (%) = 0.00105596 (0.842916) Outpt time (%) = 0.000806332 (0.643653) Other time (%) = 0.00959682 (7.66066) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.4001 3383.4001 2479 1.5755257e-08 -2213.3374 -2213.3374 -3383.4001 3383.4001 Loop time of 0.00215912 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737529 -2213.33737529 -2213.33737529 Force two-norm initial, final = 0.00491573 0.00491573 Force max component initial, final = 0.00045042 0.00045042 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185513 (85.9209) Neigh time (%) = 0 (0) Comm time (%) = 1.97887e-05 (0.916519) Outpt time (%) = 0 (0) Other time (%) = 0.000284195 (13.1625) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3173 -2213.3173 -3388.0169 3388.0169 2410 0.0072406022 -2213.3177 -2213.3177 -3387.8878 3387.8878 2420 0.051191207 -2213.3205 -2213.3205 -3386.5552 3386.5552 2430 0.14038813 -2213.3279 -2213.3279 -3382.9692 3382.9692 2440 0.041357208 -2213.3351 -2213.3351 -3382.537 3382.537 2450 0.010649753 -2213.3356 -2213.3356 -3383.3684 3383.3684 2460 0.00041550717 -2213.3368 -2213.3368 -3383.8451 3383.8451 2470 0.0008240386 -2213.337 -2213.337 -3383.3075 3383.3075 2480 0.00015462364 -2213.3371 -2213.3371 -3383.4617 3383.4617 2490 0.0010700424 -2213.3371 -2213.3371 -3383.3386 3383.3386 2500 0.0046202337 -2213.3373 -2213.3373 -3383.5775 3383.5775 2510 0.0001531599 -2213.3374 -2213.3374 -3383.4073 3383.4073 2520 3.5972584e-05 -2213.3374 -2213.3374 -3383.4193 3383.4193 2530 0.00026958727 -2213.3374 -2213.3374 -3383.4116 3383.4116 2533 0.00036491305 -2213.3374 -2213.3374 -3383.4021 3383.4021 Loop time of 0.134635 on 1 procs for 133 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31729211 -2213.3373712 -2213.33737422 Force two-norm initial, final = 0.305966 0.00449584 Force max component initial, final = 0.0386334 0.000329579 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 133 133 Pair time (%) = 0.119325 (88.6285) Neigh time (%) = 0 (0) Comm time (%) = 0.00111794 (0.830352) Outpt time (%) = 0.000966549 (0.717903) Other time (%) = 0.0132256 (9.82327) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.4046 3383.4046 2534 1.3178618e-08 -2213.3374 -2213.3374 -3383.4046 3383.4046 Loop time of 0.00217414 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737422 -2213.33737422 -2213.33737422 Force two-norm initial, final = 0.00449584 0.00449584 Force max component initial, final = 0.000329579 0.000329579 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185418 (85.2835) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.690865) Outpt time (%) = 0 (0) Other time (%) = 0.000304937 (14.0257) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3226 -2213.3226 -3382.5774 3382.5774 2360 0.009719941 -2213.3231 -2213.3231 -3382.6715 3382.6715 2370 0.049165036 -2213.3258 -2213.3258 -3383.5297 3383.5297 2380 0.089273742 -2213.3301 -2213.3301 -3383.8323 3383.8323 2390 0.00017314701 -2213.3334 -2213.3334 -3384.0887 3384.0887 2400 0.011267229 -2213.334 -2213.334 -3383.8091 3383.8091 2410 0.0018907772 -2213.3349 -2213.3349 -3383.5199 3383.5199 2420 0.017941733 -2213.3357 -2213.3357 -3383.503 3383.503 2430 0.0024520005 -2213.3366 -2213.3366 -3383.5403 3383.5403 2440 0.00069798543 -2213.3369 -2213.3369 -3383.4287 3383.4287 2450 0.00037056161 -2213.337 -2213.337 -3383.4369 3383.4369 2460 0.0025396404 -2213.3371 -2213.3371 -3383.4289 3383.4289 2470 0.00020703017 -2213.3373 -2213.3373 -3383.3749 3383.3749 2480 0.00024077675 -2213.3373 -2213.3373 -3383.3868 3383.3868 2483 0.00043238753 -2213.3373 -2213.3373 -3383.3887 3383.3887 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 = -2213.32257223 -2213.33733171 -2213.33733642 Force two-norm initial, final = 0.358921 0.00980501 Force max component initial, final = 0.0317388 0.000573209 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 133 133 Pair time (%) = 0.117259 (89.16) Neigh time (%) = 0 (0) Comm time (%) = 0.00107956 (0.820864) Outpt time (%) = 0.000862122 (0.655531) Other time (%) = 0.0123146 (9.36361) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3917 3383.3917 2484 5.0220089e-08 -2213.3373 -2213.3373 -3383.3917 3383.3917 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 = -2213.33733642 -2213.33733642 -2213.33733642 Force two-norm initial, final = 0.00877636 0.00877636 Force max component initial, final = 0.000656891 0.000656891 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185204 (87.3201) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.809353) Outpt time (%) = 0 (0) Other time (%) = 0.00025177 (11.8705) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3232 -2213.3232 -3385.5242 3385.5242 2410 0.0087268536 -2213.3237 -2213.3237 -3385.3463 3385.3463 2420 0.039002987 -2213.3259 -2213.3259 -3383.9946 3383.9946 2430 0.060841501 -2213.3289 -2213.3289 -3384.7024 3384.7024 2440 0.00023984027 -2213.3319 -2213.3319 -3384.3107 3384.3107 2450 0.013807839 -2213.3328 -2213.3328 -3383.4838 3383.4838 2460 0.061400982 -2213.3356 -2213.3356 -3383.0042 3383.0042 2470 0.0099482258 -2213.3361 -2213.3361 -3383.5108 3383.5108 2480 0.002558855 -2213.3363 -2213.3363 -3383.5424 3383.5424 2490 0.0016121837 -2213.3369 -2213.3369 -3383.5104 3383.5104 2500 0.00033549727 -2213.337 -2213.337 -3383.4246 3383.4246 2510 0.0030077883 -2213.3372 -2213.3372 -3383.3912 3383.3912 2520 8.9752472e-06 -2213.3373 -2213.3373 -3383.408 3383.408 2530 0.00013496535 -2213.3374 -2213.3374 -3383.3916 3383.3916 2531 0.00017974777 -2213.3374 -2213.3374 -3383.3948 3383.3948 Loop time of 0.129196 on 1 procs for 131 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3232189 -2213.33735676 -2213.33735918 Force two-norm initial, final = 0.341134 0.00609395 Force max component initial, final = 0.0310607 0.00043826 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 131 131 Pair time (%) = 0.115891 (89.7014) Neigh time (%) = 0 (0) Comm time (%) = 0.00107956 (0.835599) Outpt time (%) = 0.000867844 (0.671727) Other time (%) = 0.011358 (8.79132) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3961 3383.3961 2532 2.4212858e-08 -2213.3374 -2213.3374 -3383.3961 3383.3961 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 = -2213.33735918 -2213.33735918 -2213.33735918 Force two-norm initial, final = 0.00609395 0.00609395 Force max component initial, final = 0.00043826 0.00043826 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185204 (88.2727) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.795455) Outpt time (%) = 0 (0) Other time (%) = 0.000229359 (10.9318) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3302 -2213.3302 -3385.3074 3385.3074 2460 0.0072932101 -2213.3306 -2213.3306 -3384.9905 3384.9905 2470 0.032087284 -2213.3323 -2213.3323 -3382.6918 3382.6918 2480 0.040244962 -2213.334 -2213.334 -3385.822 3385.822 2490 0.00010218073 -2213.3356 -2213.3356 -3384.3006 3384.3006 2500 0.004758092 -2213.3359 -2213.3359 -3383.2826 3383.2826 2510 0.00099642161 -2213.3364 -2213.3364 -3383.5768 3383.5768 2520 0.0059626352 -2213.3367 -2213.3367 -3383.5974 3383.5974 2530 7.2702119e-06 -2213.337 -2213.337 -3383.5076 3383.5076 2540 0.00064272944 -2213.3371 -2213.3371 -3383.4108 3383.4108 2550 0.0035881258 -2213.3373 -2213.3373 -3383.2738 3383.2738 2560 3.6583195e-05 -2213.3374 -2213.3374 -3383.3932 3383.3932 2562 6.4095841e-05 -2213.3374 -2213.3374 -3383.4005 3383.4005 Loop time of 0.111821 on 1 procs for 112 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3301757 -2213.33735196 -2213.33735263 Force two-norm initial, final = 0.311697 0.0065772 Force max component initial, final = 0.0264199 0.000376307 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 112 112 Pair time (%) = 0.0996451 (89.1113) Neigh time (%) = 0 (0) Comm time (%) = 0.000926256 (0.828339) Outpt time (%) = 0.00074625 (0.667362) Other time (%) = 0.0105033 (9.39296) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.4009 3383.4009 2563 2.820533e-08 -2213.3374 -2213.3374 -3383.4009 3383.4009 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 = -2213.33735263 -2213.33735263 -2213.33735263 Force two-norm initial, final = 0.0065772 0.0065772 Force max component initial, final = 0.000376307 0.000376307 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (87.2302) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.708183) Outpt time (%) = 0 (0) Other time (%) = 0.000255823 (12.0616) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2212.7714 -2212.7714 -3607.3435 3607.3435 2410 0.084262747 -2212.7764 -2212.7764 -3604.4568 3604.4568 2420 0.41220785 -2212.7984 -2212.7984 -3578.1653 3578.1653 2430 0.36017034 -2212.8079 -2212.8079 -3559.2908 3559.2908 2440 0.00056153301 -2212.8192 -2212.8192 -3545.7241 3545.7241 2450 0.033850551 -2212.8213 -2212.8213 -3543.7782 3543.7782 2460 0.0005692425 -2212.8246 -2212.8246 -3548.7282 3548.7282 2470 0.021320959 -2212.8257 -2212.8257 -3543.8305 3543.8305 2480 0.0048649649 -2212.826 -2212.826 -3544.5852 3544.5852 2490 0.0041972963 -2212.8267 -2212.8267 -3541.812 3541.812 2500 0.00077028452 -2212.8268 -2212.8268 -3541.9967 3541.9967 2510 0.0047904231 -2212.8271 -2212.8271 -3540.7084 3540.7084 2520 2.0346934e-05 -2212.8272 -2212.8272 -3539.9036 3539.9036 2523 6.7912935e-05 -2212.8272 -2212.8272 -3539.8793 3539.8793 Loop time of 0.124336 on 1 procs for 123 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.77141387 -2212.82722717 -2212.82722809 Force two-norm initial, final = 1.05449 0.00894312 Force max component initial, final = 0.227909 0.000873921 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 123 123 Pair time (%) = 0.112151 (90.1997) Neigh time (%) = 0 (0) Comm time (%) = 0.00103092 (0.829142) Outpt time (%) = 0.000798702 (0.642374) Other time (%) = 0.0103557 (8.32881) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14246 ave 14246 max 14246 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14246 Ave neighs/atom = 27.8787 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2523 0 -2212.8272 -2212.8272 -3539.8798 3539.8798 2524 5.2404299e-08 -2212.8272 -2212.8272 -3539.8798 3539.8798 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 = -2212.82722809 -2212.82722809 -2212.82722809 Force two-norm initial, final = 0.00896518 0.00896518 Force max component initial, final = 0.000960566 0.000960566 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192714 (89.01) Neigh time (%) = 0 (0) Comm time (%) = 1.54972e-05 (0.71578) Outpt time (%) = 0 (0) Other time (%) = 0.000222445 (10.2742) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2450 0 -2213.3114 -2213.3114 -3378.6899 3378.6899 2460 0.013544707 -2213.3122 -2213.3122 -3379.7206 3379.7206 2470 0.081953148 -2213.3165 -2213.3165 -3387.0417 3387.0417 2480 0.14023694 -2213.324 -2213.324 -3379.141 3379.141 2490 0.059226915 -2213.3321 -2213.3321 -3383.1609 3383.1609 2500 0.024797462 -2213.3328 -2213.3328 -3383.6664 3383.6664 2510 0.0057689507 -2213.3345 -2213.3345 -3383.6455 3383.6455 2520 0.0027943544 -2213.3349 -2213.3349 -3383.6552 3383.6552 2530 0.018298919 -2213.3357 -2213.3357 -3383.4479 3383.4479 2540 0.0049613095 -2213.337 -2213.337 -3383.5463 3383.5463 2550 0.0011013914 -2213.337 -2213.337 -3383.5818 3383.5818 2560 0.0038269052 -2213.3372 -2213.3372 -3383.2925 3383.2925 2570 8.5334393e-05 -2213.3373 -2213.3373 -3383.2879 3383.2879 2580 1.5896643e-05 -2213.3373 -2213.3373 -3383.4424 3383.4424 2590 0.00018812523 -2213.3373 -2213.3373 -3383.369 3383.369 2600 0.0010159958 -2213.3373 -2213.3373 -3383.3259 3383.3259 2610 1.9002247e-05 -2213.3374 -2213.3374 -3383.359 3383.359 2612 4.3788214e-05 -2213.3374 -2213.3374 -3383.3794 3383.3794 Loop time of 0.161646 on 1 procs for 162 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31138736 -2213.33737611 -2213.33737671 Force two-norm initial, final = 0.421133 0.00648118 Force max component initial, final = 0.0387149 0.00049571 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 162 162 Pair time (%) = 0.14439 (89.3249) Neigh time (%) = 0 (0) Comm time (%) = 0.00133681 (0.827001) Outpt time (%) = 0.00108886 (0.673607) Other time (%) = 0.0148301 (9.17444) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3797 3383.3797 2613 2.7387774e-08 -2213.3374 -2213.3374 -3383.3797 3383.3797 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 = -2213.33737671 -2213.33737671 -2213.33737671 Force two-norm initial, final = 0.00648118 0.00648118 Force max component initial, final = 0.00049571 0.00049571 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00188112 (85.4636) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.671577) Outpt time (%) = 0 (0) Other time (%) = 0.000305176 (13.8648) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3254 -2213.3254 -3382.3816 3382.3816 2510 0.0080409187 -2213.3259 -2213.3259 -3382.6255 3382.6255 2520 0.056163255 -2213.3289 -2213.3289 -3384.2621 3384.2621 2530 0.078740185 -2213.3328 -2213.3328 -3381.129 3381.129 2540 0.044006579 -2213.3358 -2213.3358 -3383.8954 3383.8954 2550 0.010693768 -2213.3362 -2213.3362 -3383.5384 3383.5384 2560 0.0058184453 -2213.3368 -2213.3368 -3383.4288 3383.4288 2570 0.00037581193 -2213.337 -2213.337 -3383.4169 3383.4169 2580 0.0030932155 -2213.3371 -2213.3371 -3383.5076 3383.5076 2590 0.00023431087 -2213.3373 -2213.3373 -3383.3482 3383.3482 2600 0.00011903232 -2213.3374 -2213.3374 -3383.386 3383.386 2610 0.00049033108 -2213.3374 -2213.3374 -3383.4099 3383.4099 2613 2.0889317e-05 -2213.3374 -2213.3374 -3383.4118 3383.4118 Loop time of 0.112168 on 1 procs for 113 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32539595 -2213.33737463 -2213.33737515 Force two-norm initial, final = 0.322769 0.0064337 Force max component initial, final = 0.0460983 0.000547067 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 113 113 Pair time (%) = 0.0998275 (88.9982) Neigh time (%) = 0 (0) Comm time (%) = 0.000920057 (0.820249) Outpt time (%) = 0.000734806 (0.655094) Other time (%) = 0.0106857 (9.52649) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.412 3383.412 2614 2.6987999e-08 -2213.3374 -2213.3374 -3383.412 3383.412 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 = -2213.33737515 -2213.33737515 -2213.33737515 Force two-norm initial, final = 0.0064337 0.0064337 Force max component initial, final = 0.000547067 0.000547067 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185227 (87.4493) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.742909) Outpt time (%) = 0 (0) Other time (%) = 0.000250101 (11.8077) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3069 -2213.3069 -3386.2021 3386.2021 2560 0.0097273875 -2213.3074 -2213.3074 -3386.2054 3386.2054 2570 0.071362213 -2213.3113 -2213.3113 -3386.0836 3386.0836 2580 0.15578709 -2213.3201 -2213.3201 -3383.8496 3383.8496 2590 0.066694098 -2213.3306 -2213.3306 -3382.9525 3382.9525 2600 0.033824544 -2213.3321 -2213.3321 -3383.7134 3383.7134 2610 0.0024164234 -2213.3355 -2213.3355 -3384.3327 3384.3327 2620 0.0049394094 -2213.3366 -2213.3366 -3383.4753 3383.4753 2630 0.00079077426 -2213.3367 -2213.3367 -3383.665 3383.665 2640 0.0035651792 -2213.3369 -2213.3369 -3383.4246 3383.4246 2650 0.0013018622 -2213.3372 -2213.3372 -3383.3198 3383.3198 2660 0.00029799816 -2213.3372 -2213.3372 -3383.4162 3383.4162 2670 0.0010259437 -2213.3373 -2213.3373 -3383.4564 3383.4564 2680 1.2180608e-05 -2213.3373 -2213.3373 -3383.4266 3383.4266 2690 0.00015983225 -2213.3373 -2213.3373 -3383.3777 3383.3777 2700 1.2046214e-05 -2213.3374 -2213.3374 -3383.3908 3383.3908 2702 3.9564443e-05 -2213.3374 -2213.3374 -3383.3956 3383.3956 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 = -2213.30686785 -2213.33736114 -2213.33736181 Force two-norm initial, final = 0.354406 0.00583972 Force max component initial, final = 0.0722103 0.000416236 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 152 152 Pair time (%) = 0.134596 (89.4818) Neigh time (%) = 0 (0) Comm time (%) = 0.00127363 (0.846734) Outpt time (%) = 0.0010016 (0.665879) Other time (%) = 0.013546 (9.00562) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3959 3383.3959 2703 2.2234748e-08 -2213.3374 -2213.3374 -3383.3959 3383.3959 Loop time of 0.002105 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736181 -2213.33736181 -2213.33736181 Force two-norm initial, final = 0.00583972 0.00583972 Force max component initial, final = 0.000416236 0.000416236 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (87.9375) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.815494) Outpt time (%) = 0 (0) Other time (%) = 0.00023675 (11.247) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3201 -2213.3201 -3380.6613 3380.6613 2610 0.015072852 -2213.321 -2213.321 -3381.2867 3381.2867 2620 0.091672351 -2213.3259 -2213.3259 -3385.5434 3385.5434 2630 0.09906693 -2213.3303 -2213.3303 -3378.2827 3378.2827 2640 0.00020661816 -2213.3339 -2213.3339 -3381.8751 3381.8751 2650 0.011246228 -2213.3346 -2213.3346 -3384.2875 3384.2875 2660 0.0022145471 -2213.3355 -2213.3355 -3383.1855 3383.1855 2670 0.011875188 -2213.3361 -2213.3361 -3383.1323 3383.1323 2680 1.3895116e-05 -2213.3367 -2213.3367 -3383.4389 3383.4389 2690 0.0012620338 -2213.3368 -2213.3368 -3383.4206 3383.4206 2700 0.0064606637 -2213.3372 -2213.3372 -3383.3373 3383.3373 2710 5.4232876e-05 -2213.3373 -2213.3373 -3383.4019 3383.4019 2720 0.00039567207 -2213.3373 -2213.3373 -3383.4073 3383.4073 2728 6.2409572e-05 -2213.3374 -2213.3374 -3383.4018 3383.4018 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 = -2213.32012973 -2213.33736163 -2213.3373625 Force two-norm initial, final = 0.444047 0.00568363 Force max component initial, final = 0.075512 0.000364974 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 128 128 Pair time (%) = 0.113297 (89.0115) Neigh time (%) = 0 (0) Comm time (%) = 0.00106573 (0.837287) Outpt time (%) = 0.000792742 (0.622814) Other time (%) = 0.0121281 (9.5284) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.4022 3383.4022 2729 2.1062009e-08 -2213.3374 -2213.3374 -3383.4022 3383.4022 Loop time of 0.00212002 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373625 -2213.3373625 -2213.3373625 Force two-norm initial, final = 0.00568363 0.00568363 Force max component initial, final = 0.000364974 0.000364974 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185204 (87.3594) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.753486) Outpt time (%) = 0 (0) Other time (%) = 0.000252008 (11.8871) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2701 -2213.2701 -3383.592 3383.592 2510 0.02038842 -2213.2713 -2213.2713 -3384.4778 3384.4778 2520 0.12787601 -2213.278 -2213.278 -3390.4847 3390.4847 2530 0.37276031 -2213.2982 -2213.2982 -3381.4506 3381.4506 2540 0.13656009 -2213.3275 -2213.3275 -3383.3667 3383.3667 2550 0.00011934292 -2213.3287 -2213.3287 -3383.6225 3383.6225 2560 0.018289732 -2213.3294 -2213.3294 -3383.9235 3383.9235 2570 0.10652052 -2213.3331 -2213.3331 -3382.1599 3382.1599 2580 3.5946812e-05 -2213.336 -2213.336 -3383.1656 3383.1656 2590 0.004784334 -2213.3363 -2213.3363 -3383.2481 3383.2481 2600 0.00020909653 -2213.3371 -2213.3371 -3383.5401 3383.5401 2610 0.00031569118 -2213.3372 -2213.3372 -3383.4389 3383.4389 2620 0.0018462591 -2213.3373 -2213.3373 -3383.3656 3383.3656 2630 5.8091847e-06 -2213.3373 -2213.3373 -3383.405 3383.405 2640 0.00020601683 -2213.3373 -2213.3373 -3383.3884 3383.3884 2643 0.00036386144 -2213.3373 -2213.3373 -3383.3965 3383.3965 Loop time of 0.141368 on 1 procs for 143 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27005608 -2213.33733829 -2213.33734215 Force two-norm initial, final = 0.516432 0.0089224 Force max component initial, final = 0.0654487 0.000737682 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 143 143 Pair time (%) = 0.126112 (89.2084) Neigh time (%) = 0 (0) Comm time (%) = 0.00116992 (0.827571) Outpt time (%) = 0.000937462 (0.663136) Other time (%) = 0.0131485 (9.30094) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.399 3383.399 2644 5.1905402e-08 -2213.3373 -2213.3373 -3383.399 3383.399 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 = -2213.33734215 -2213.33734215 -2213.33734215 Force two-norm initial, final = 0.0089224 0.0089224 Force max component initial, final = 0.000737682 0.000737682 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (87.6892) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.768014) 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 -2213.2772 -2213.2772 -3385.0665 3385.0665 2560 0.012505073 -2213.2779 -2213.2779 -3385.8731 3385.8731 2570 0.047073085 -2213.281 -2213.281 -3391.3455 3391.3455 2580 0.27048496 -2213.2937 -2213.2937 -3382.0993 3382.0993 2590 0.057443593 -2213.3263 -2213.3263 -3384.1613 3384.1613 2600 8.9541594e-05 -2213.3276 -2213.3276 -3383.3851 3383.3851 2610 0.012060539 -2213.3283 -2213.3283 -3383.9625 3383.9625 2620 0.072945843 -2213.3325 -2213.3325 -3382.7943 3382.7943 2630 2.3096057e-05 -2213.3365 -2213.3365 -3383.5693 3383.5693 2640 0.0025232363 -2213.3366 -2213.3366 -3383.5259 3383.5259 2650 0.010777014 -2213.3373 -2213.3373 -3383.2434 3383.2434 2660 0.0018682228 -2213.3373 -2213.3373 -3383.3558 3383.3558 2666 9.7869436e-06 -2213.3373 -2213.3373 -3383.366 3383.366 Loop time of 0.115468 on 1 procs for 116 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27716603 -2213.33734653 -2213.33734673 Force two-norm initial, final = 0.408845 0.00924446 Force max component initial, final = 0.0489707 0.000927521 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 116 116 Pair time (%) = 0.102834 (89.0588) Neigh time (%) = 0 (0) Comm time (%) = 0.000957251 (0.829018) Outpt time (%) = 0.000741243 (0.641947) Other time (%) = 0.0109351 (9.47021) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3373 -2213.3373 -3383.3661 3383.3661 2667 5.9360719e-08 -2213.3373 -2213.3373 -3383.3661 3383.3661 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 = -2213.33734673 -2213.33734673 -2213.33734673 Force two-norm initial, final = 0.00954169 0.00954169 Force max component initial, final = 0.000841911 0.000841911 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185823 (87.4061) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.740159) Outpt time (%) = 0 (0) Other time (%) = 0.000252008 (11.8538) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2775 -2213.2775 -3385.1912 3385.1912 2610 0.014520401 -2213.2783 -2213.2783 -3385.955 3385.955 2620 0.052237405 -2213.2817 -2213.2817 -3391.1052 3391.1052 2630 0.26861925 -2213.2944 -2213.2944 -3382.3152 3382.3152 2640 0.054814095 -2213.3263 -2213.3263 -3383.7034 3383.7034 2650 0.025492199 -2213.3278 -2213.3278 -3383.7105 3383.7105 2660 0.11530092 -2213.3348 -2213.3348 -3382.2734 3382.2734 2670 0.011667709 -2213.3366 -2213.3366 -3383.165 3383.165 2680 0.00029433164 -2213.3369 -2213.3369 -3383.496 3383.496 2690 0.0026229341 -2213.337 -2213.337 -3383.5158 3383.5158 2700 0.00018423721 -2213.3373 -2213.3373 -3383.314 3383.314 2709 0.00029776794 -2213.3374 -2213.3374 -3383.3414 3383.3414 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 = -2213.2774697 -2213.33735143 -2213.33735364 Force two-norm initial, final = 0.440986 0.00882786 Force max component initial, final = 0.0471765 0.00143113 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 109 109 Pair time (%) = 0.0972703 (89.1431) Neigh time (%) = 0 (0) Comm time (%) = 0.000920057 (0.843184) Outpt time (%) = 0.000689745 (0.632115) Other time (%) = 0.010237 (9.38165) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3435 3383.3435 2710 5.8062864e-08 -2213.3374 -2213.3374 -3383.3435 3383.3435 Loop time of 0.00225401 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735364 -2213.33735364 -2213.33735364 Force two-norm initial, final = 0.0094368 0.0094368 Force max component initial, final = 0.00112659 0.00112659 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198698 (88.1532) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.751005) Outpt time (%) = 0 (0) Other time (%) = 0.000250101 (11.0958) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.2849 -2213.2849 -3387.6879 3387.6879 2560 0.013359465 -2213.2857 -2213.2857 -3387.7302 3387.7302 2570 0.092378209 -2213.2908 -2213.2908 -3387.8654 3387.8654 2580 0.19205631 -2213.3023 -2213.3023 -3386.0867 3386.0867 2590 0.173309 -2213.3225 -2213.3225 -3381.4387 3381.4387 2600 0.060931481 -2213.3263 -2213.3263 -3382.6512 3382.6512 2610 0.011784992 -2213.3318 -2213.3318 -3383.9489 3383.9489 2620 0.00048908426 -2213.3341 -2213.3341 -3383.9764 3383.9764 2630 0.00093469352 -2213.3347 -2213.3347 -3383.2537 3383.2537 2640 0.0094736239 -2213.3352 -2213.3352 -3383.6769 3383.6769 2650 0.00068182604 -2213.3366 -2213.3366 -3383.682 3383.682 2660 0.000548719 -2213.3367 -2213.3367 -3383.4471 3383.4471 2670 0.0049203748 -2213.337 -2213.337 -3383.3405 3383.3405 2680 0.0023302514 -2213.3373 -2213.3373 -3383.347 3383.347 2687 0.00063131131 -2213.3374 -2213.3374 -3383.406 3383.406 Loop time of 0.135641 on 1 procs for 137 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.2849412 -2213.33734802 -2213.3373513 Force two-norm initial, final = 0.416033 0.00690679 Force max component initial, final = 0.0620216 0.000565708 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 137 137 Pair time (%) = 0.120893 (89.1269) Neigh time (%) = 0 (0) Comm time (%) = 0.00113225 (0.83474) Outpt time (%) = 0.000872374 (0.643148) Other time (%) = 0.0127437 (9.39517) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.4103 3383.4103 2688 3.7285989e-08 -2213.3374 -2213.3374 -3383.4103 3383.4103 Loop time of 0.00211406 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373513 -2213.3373513 -2213.3373513 Force two-norm initial, final = 0.0075622 0.0075622 Force max component initial, final = 0.000532548 0.000532548 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185394 (87.696) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.766888) Outpt time (%) = 0 (0) Other time (%) = 0.000243902 (11.5372) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.2798 -2213.2798 -3385.8668 3385.8668 2610 0.015260959 -2213.2807 -2213.2807 -3386.0518 3386.0518 2620 0.10709369 -2213.2865 -2213.2865 -3387.4671 3387.4671 2630 0.26301728 -2213.3006 -2213.3006 -3385.6728 3385.6728 2640 0.16557406 -2213.3287 -2213.3287 -3382.0461 3382.0461 2650 0.00018194523 -2213.3299 -2213.3299 -3383.5457 3383.5457 2660 0.018276724 -2213.3308 -2213.3308 -3384.3018 3384.3018 2670 0.070075393 -2213.3345 -2213.3345 -3382.829 3382.829 2680 0.00070513157 -2213.3358 -2213.3358 -3383.2533 3383.2533 2690 0.0059148731 -2213.3362 -2213.3362 -3383.7873 3383.7873 2700 0.0017041906 -2213.3365 -2213.3365 -3383.5682 3383.5682 2710 0.009646999 -2213.337 -2213.337 -3383.2742 3383.2742 2720 0.00010038225 -2213.3371 -2213.3371 -3383.3881 3383.3881 2730 0.0010545284 -2213.3372 -2213.3372 -3383.4451 3383.4451 2740 0.00015271631 -2213.3373 -2213.3373 -3383.4139 3383.4139 2750 9.5814116e-05 -2213.3373 -2213.3373 -3383.4099 3383.4099 2755 0.00027386592 -2213.3373 -2213.3373 -3383.409 3383.409 Loop time of 0.154319 on 1 procs for 155 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27981597 -2213.33731748 -2213.33732103 Force two-norm initial, final = 0.444171 0.00944786 Force max component initial, final = 0.0705218 0.000710178 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 155 155 Pair time (%) = 0.137495 (89.0978) Neigh time (%) = 0 (0) Comm time (%) = 0.00127578 (0.826714) Outpt time (%) = 0.000996351 (0.645644) Other time (%) = 0.0145521 (9.42989) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3373 -2213.3373 -3383.4109 3383.4109 2756 6.4270328e-08 -2213.3373 -2213.3373 -3383.4109 3383.4109 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 = -2213.33732103 -2213.33732103 -2213.33732103 Force two-norm initial, final = 0.00992844 0.00992844 Force max component initial, final = 0.00076555 0.00076555 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018549 (87.4059) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.752724) Outpt time (%) = 0 (0) Other time (%) = 0.000251293 (11.8414) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.2637 -2213.2637 -3388.6008 3388.6008 2660 0.02049497 -2213.2649 -2213.2649 -3388.4763 3388.4763 2670 0.16733842 -2213.2739 -2213.2739 -3387.4998 3387.4998 2680 0.44681175 -2213.2977 -2213.2977 -3386.6092 3386.6092 2690 0.087478983 -2213.3293 -2213.3293 -3382.0427 3382.0427 2700 0.034564823 -2213.3305 -2213.3305 -3382.7094 3382.7094 2710 0.0092188786 -2213.3322 -2213.3322 -3383.911 3383.911 2720 0.046493406 -2213.334 -2213.334 -3383.4016 3383.4016 2730 0.0006258936 -2213.3346 -2213.3346 -3382.9745 3382.9745 2740 0.0077929486 -2213.335 -2213.335 -3383.5181 3383.5181 2750 0.00025480116 -2213.3364 -2213.3364 -3383.7101 3383.7101 2760 0.00045699364 -2213.3365 -2213.3365 -3383.3739 3383.3739 2770 0.0042751329 -2213.3368 -2213.3368 -3383.3391 3383.3391 2780 0.0019544666 -2213.3373 -2213.3373 -3383.2179 3383.2179 2788 0.00099341827 -2213.3373 -2213.3373 -3383.4277 3383.4277 Loop time of 0.136842 on 1 procs for 138 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26367782 -2213.33733676 -2213.3373418 Force two-norm initial, final = 0.511854 0.00922539 Force max component initial, final = 0.0724105 0.000726471 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 138 138 Pair time (%) = 0.122147 (89.261) Neigh time (%) = 0 (0) Comm time (%) = 0.0011375 (0.831247) Outpt time (%) = 0.000866175 (0.632974) Other time (%) = 0.0126917 (9.27474) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3373 -2213.3373 -3383.4345 3383.4345 2789 5.549048e-08 -2213.3373 -2213.3373 -3383.4345 3383.4345 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 = -2213.3373418 -2213.3373418 -2213.3373418 Force two-norm initial, final = 0.00922539 0.00922539 Force max component initial, final = 0.000726471 0.000726471 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (87.6496) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.812825) Outpt time (%) = 0 (0) Other time (%) = 0.000243664 (11.5376) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3177 -2213.3177 -3386.0007 3386.0007 2610 0.010861643 -2213.3184 -2213.3184 -3385.9739 3385.9739 2620 0.071079545 -2213.3222 -2213.3222 -3385.4352 3385.4352 2630 0.14436819 -2213.3292 -2213.3292 -3382.6801 3382.6801 2640 0.026209174 -2213.3332 -2213.3332 -3382.9823 3382.9823 2650 0.010385035 -2213.3338 -2213.3338 -3384.0188 3384.0188 2660 0.04320305 -2213.3359 -2213.3359 -3382.9519 3382.9519 2670 0.001137608 -2213.3363 -2213.3363 -3383.3425 3383.3425 2680 0.00022212015 -2213.3364 -2213.3364 -3383.5703 3383.5703 2690 0.0022511364 -2213.3366 -2213.3366 -3383.43 3383.43 2700 0.0095686964 -2213.3371 -2213.3371 -3383.2172 3383.2172 2710 0.0002252457 -2213.3373 -2213.3373 -3383.3875 3383.3875 2720 3.3267174e-05 -2213.3373 -2213.3373 -3383.402 3383.402 2730 0.00029799373 -2213.3373 -2213.3373 -3383.3953 3383.3953 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 = -2213.3177199 -2213.33732547 -2213.33732895 Force two-norm initial, final = 0.375719 0.00885734 Force max component initial, final = 0.0342533 0.000773689 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 130 130 Pair time (%) = 0.116502 (89.1789) Neigh time (%) = 0 (0) Comm time (%) = 0.00109959 (0.8417) Outpt time (%) = 0.000802994 (0.614667) Other time (%) = 0.012234 (9.36473) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3973 3383.3973 2731 5.115118e-08 -2213.3373 -2213.3373 -3383.3973 3383.3973 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 = -2213.33732895 -2213.33732895 -2213.33732895 Force two-norm initial, final = 0.00885734 0.00885734 Force max component initial, final = 0.000773689 0.000773689 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00188303 (87.9902) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.779857) Outpt time (%) = 0 (0) Other time (%) = 0.000240326 (11.2299) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3077 -2213.3077 -3387.5487 3387.5487 2660 0.0087759369 -2213.3082 -2213.3082 -3387.4011 3387.4011 2670 0.064221453 -2213.3118 -2213.3118 -3386.1475 3386.1475 2680 0.19670666 -2213.3225 -2213.3225 -3384.2595 3384.2595 2690 0.070583512 -2213.3318 -2213.3318 -3382.4725 3382.4725 2700 0.00010871007 -2213.3329 -2213.3329 -3383.8538 3383.8538 2710 0.012591071 -2213.3334 -2213.3334 -3383.2923 3383.2923 2720 0.061939538 -2213.3358 -2213.3358 -3383.342 3383.342 2730 0.00015969846 -2213.3367 -2213.3367 -3383.5474 3383.5474 2740 0.0027317599 -2213.3369 -2213.3369 -3383.3691 3383.3691 2750 0.0067589297 -2213.3372 -2213.3372 -3383.244 3383.244 2760 0.00052156744 -2213.3372 -2213.3372 -3383.391 3383.391 2770 0.00018808926 -2213.3373 -2213.3373 -3383.4285 3383.4285 2780 0.0011959567 -2213.3373 -2213.3373 -3383.3897 3383.3897 2789 6.7544088e-05 -2213.3374 -2213.3374 -3383.3769 3383.3769 Loop time of 0.139724 on 1 procs for 139 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30772745 -2213.33736705 -2213.33736816 Force two-norm initial, final = 0.336764 0.00826101 Force max component initial, final = 0.0474719 0.000693722 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 139 139 Pair time (%) = 0.124283 (88.9491) Neigh time (%) = 0 (0) Comm time (%) = 0.00116706 (0.83526) Outpt time (%) = 0.000936031 (0.669914) Other time (%) = 0.0133376 (9.54568) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3774 3383.3774 2790 4.4495394e-08 -2213.3374 -2213.3374 -3383.3774 3383.3774 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 = -2213.33736816 -2213.33736816 -2213.33736816 Force two-norm initial, final = 0.00826101 0.00826101 Force max component initial, final = 0.000693722 0.000693722 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00205302 (86.7345) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.715149) Outpt time (%) = 0 (0) Other time (%) = 0.00029707 (12.5504) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3206 -2213.3206 -3386.1459 3386.1459 2710 0.0076675566 -2213.321 -2213.321 -3386.0078 3386.0078 2720 0.058570814 -2213.3242 -2213.3242 -3384.7801 3384.7801 2730 0.15469911 -2213.332 -2213.332 -3382.6995 3382.6995 2740 0.018323858 -2213.3344 -2213.3344 -3383.7144 3383.7144 2750 0.0020779771 -2213.3356 -2213.3356 -3384.7073 3384.7073 2760 0.0052108944 -2213.3366 -2213.3366 -3383.2462 3383.2462 2770 0.00069614794 -2213.3367 -2213.3367 -3383.6152 3383.6152 2780 0.0041654629 -2213.3369 -2213.3369 -3383.4372 3383.4372 2790 0.00060913104 -2213.3372 -2213.3372 -3384.2025 3384.2025 2800 0.0010246991 -2213.3373 -2213.3373 -3383.4843 3383.4843 2810 0.00013595707 -2213.3373 -2213.3373 -3383.4038 3383.4038 2820 0.00045392152 -2213.3374 -2213.3374 -3383.4715 3383.4715 2822 0.00056112883 -2213.3374 -2213.3374 -3383.4328 3383.4328 Loop time of 0.124903 on 1 procs for 122 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32058956 -2213.3373661 -2213.33737073 Force two-norm initial, final = 0.314004 0.00586181 Force max component initial, final = 0.0414024 0.000448675 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 122 122 Pair time (%) = 0.10973 (87.8524) Neigh time (%) = 0 (0) Comm time (%) = 0.00102115 (0.817552) Outpt time (%) = 0.000826359 (0.661601) Other time (%) = 0.0133252 (10.6685) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.4367 3383.4367 2823 2.2403307e-08 -2213.3374 -2213.3374 -3383.4367 3383.4367 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 = -2213.33737073 -2213.33737073 -2213.33737073 Force two-norm initial, final = 0.00586181 0.00586181 Force max component initial, final = 0.000448675 0.000448675 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018878 (85.5353) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.821) Outpt time (%) = 0 (0) Other time (%) = 0.000301123 (13.6437) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.308 -2213.308 -3385.8675 3385.8675 2660 0.0078143701 -2213.3085 -2213.3085 -3385.9073 3385.9073 2670 0.049866565 -2213.3112 -2213.3112 -3385.9843 3385.9843 2680 0.089723733 -2213.3166 -2213.3166 -3384.158 3384.158 2690 0.067518007 -2213.3289 -2213.3289 -3384.2172 3384.2172 2700 0.032135468 -2213.3305 -2213.3305 -3383.6583 3383.6583 2710 0.0015041451 -2213.3351 -2213.3351 -3382.9912 3382.9912 2720 0.0040220623 -2213.3358 -2213.3358 -3383.4133 3383.4133 2730 0.0010239151 -2213.336 -2213.336 -3383.2972 3383.2972 2740 0.0081004321 -2213.3364 -2213.3364 -3383.2741 3383.2741 2750 0.01918673 -2213.337 -2213.337 -3383.0779 3383.0779 2760 0.0013535026 -2213.3373 -2213.3373 -3383.3776 3383.3776 2770 0.00017498034 -2213.3373 -2213.3373 -3383.3738 3383.3738 2780 0.00095747081 -2213.3373 -2213.3373 -3383.3644 3383.3644 2783 0.0011981269 -2213.3374 -2213.3374 -3383.3678 3383.3678 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 = -2213.30802726 -2213.33734134 -2213.33735129 Force two-norm initial, final = 0.318716 0.00911827 Force max component initial, final = 0.033195 0.000788462 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 133 133 Pair time (%) = 0.118213 (88.6032) Neigh time (%) = 0 (0) Comm time (%) = 0.00110245 (0.82631) Outpt time (%) = 0.000874281 (0.655294) Other time (%) = 0.0132287 (9.91519) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3761 3383.3761 2784 5.4209251e-08 -2213.3374 -2213.3374 -3383.3761 3383.3761 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 = -2213.33735129 -2213.33735129 -2213.33735129 Force two-norm initial, final = 0.00911827 0.00911827 Force max component initial, final = 0.000788462 0.000788462 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186181 (88.1178) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.801174) Outpt time (%) = 0 (0) Other time (%) = 0.000234127 (11.081) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3147 -2213.3147 -3386.8998 3386.8998 2710 0.024452019 -2213.3161 -2213.3161 -3386.4698 3386.4698 2720 0.11141346 -2213.3219 -2213.3219 -3383.1943 3383.1943 2730 0.096977009 -2213.3253 -2213.3253 -3386.5815 3386.5815 2740 0.0003437836 -2213.33 -2213.33 -3385.5487 3385.5487 2750 0.021908136 -2213.3313 -2213.3313 -3383.6615 3383.6615 2760 0.079026385 -2213.3351 -2213.3351 -3382.8129 3382.8129 2770 0.0030209191 -2213.3356 -2213.3356 -3383.9145 3383.9145 2780 0.0004952338 -2213.3359 -2213.3359 -3383.3029 3383.3029 2790 0.0040560713 -2213.3361 -2213.3361 -3383.6215 3383.6215 2800 0.014371857 -2213.3369 -2213.3369 -3383.7499 3383.7499 2810 0.00027736302 -2213.3373 -2213.3373 -3383.4798 3383.4798 2820 4.3813937e-05 -2213.3373 -2213.3373 -3383.3939 3383.3939 2830 0.00042603293 -2213.3373 -2213.3373 -3383.412 3383.412 2840 0.0012993364 -2213.3374 -2213.3374 -3383.2912 3383.2912 2850 6.4717379e-05 -2213.3374 -2213.3374 -3383.3914 3383.3914 Loop time of 0.148471 on 1 procs for 150 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31466642 -2213.33738176 -2213.33738219 Force two-norm initial, final = 0.570037 0.0035375 Force max component initial, final = 0.0583265 0.000290744 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 150 150 Pair time (%) = 0.132918 (89.5246) Neigh time (%) = 0 (0) Comm time (%) = 0.00122547 (0.825394) Outpt time (%) = 0.00093174 (0.627556) Other time (%) = 0.0133958 (9.02249) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3919 3383.3919 2851 8.1591086e-09 -2213.3374 -2213.3374 -3383.3919 3383.3919 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 = -2213.33738219 -2213.33738219 -2213.33738219 Force two-norm initial, final = 0.0035375 0.0035375 Force max component initial, final = 0.000290744 0.000290744 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (87.6667) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.802623) Outpt time (%) = 0 (0) Other time (%) = 0.000243187 (11.5306) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3215 -2213.3215 -3386.912 3386.912 2760 0.0090448713 -2213.322 -2213.322 -3386.7703 3386.7703 2770 0.063241544 -2213.3254 -2213.3254 -3385.505 3385.505 2780 0.12305227 -2213.3316 -2213.3316 -3384.1906 3384.1906 2790 0.026617838 -2213.3343 -2213.3343 -3383.8892 3383.8892 2800 0.017154265 -2213.3357 -2213.3357 -3383.1863 3383.1863 2810 0.0046824274 -2213.336 -2213.336 -3383.5683 3383.5683 2820 0.010046144 -2213.3364 -2213.3364 -3383.4436 3383.4436 2830 4.262037e-05 -2213.3369 -2213.3369 -3383.3182 3383.3182 2840 1.4613193e-05 -2213.337 -2213.337 -3383.4755 3383.4755 2850 0.00046703646 -2213.337 -2213.337 -3383.419 3383.419 2860 0.002751147 -2213.3372 -2213.3372 -3383.4158 3383.4158 2870 6.4699486e-06 -2213.3373 -2213.3373 -3383.3467 3383.3467 2880 6.002979e-06 -2213.3374 -2213.3374 -3383.4178 3383.4178 2890 6.4304935e-05 -2213.3374 -2213.3374 -3383.3818 3383.3818 2899 0.00031714063 -2213.3374 -2213.3374 -3383.3919 3383.3919 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 = -2213.32149442 -2213.33737097 -2213.3373743 Force two-norm initial, final = 0.342125 0.0043631 Force max component initial, final = 0.0320872 0.000308689 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 149 149 Pair time (%) = 0.134584 (87.8155) Neigh time (%) = 0 (0) Comm time (%) = 0.00125337 (0.817816) Outpt time (%) = 0.000946283 (0.617445) Other time (%) = 0.016474 (10.7492) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3941 3383.3941 2900 1.2411912e-08 -2213.3374 -2213.3374 -3383.3941 3383.3941 Loop time of 0.00244904 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373743 -2213.3373743 -2213.3373743 Force two-norm initial, final = 0.0043631 0.0043631 Force max component initial, final = 0.000308689 0.000308689 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00205278 (83.8201) Neigh time (%) = 0 (0) Comm time (%) = 1.90735e-05 (0.778816) Outpt time (%) = 0 (0) Other time (%) = 0.000377178 (15.4011) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3063 -2213.3063 -3380.2867 3380.2867 2710 0.0088368486 -2213.3068 -2213.3068 -3381.2178 3381.2178 2720 0.042316096 -2213.3092 -2213.3092 -3387.6598 3387.6598 2730 0.10593669 -2213.3153 -2213.3153 -3380.3197 3380.3197 2740 0.08595924 -2213.3295 -2213.3295 -3382.7267 3382.7267 2750 0.00010452095 -2213.3305 -2213.3305 -3384.6909 3384.6909 2760 0.012487739 -2213.3311 -2213.3311 -3383.8487 3383.8487 2770 0.071352648 -2213.3339 -2213.3339 -3383.7646 3383.7646 2780 4.6318341e-05 -2213.3366 -2213.3366 -3383.5745 3383.5745 2790 0.0035228241 -2213.3369 -2213.3369 -3383.0652 3383.0652 2800 0.00044170895 -2213.3372 -2213.3372 -3383.3169 3383.3169 2810 0.00029901973 -2213.3372 -2213.3372 -3383.3928 3383.3928 2820 0.0010835431 -2213.3373 -2213.3373 -3383.4303 3383.4303 2828 0.00069661529 -2213.3374 -2213.3374 -3383.3885 3383.3885 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 = -2213.30631381 -2213.33734385 -2213.33735078 Force two-norm initial, final = 0.342471 0.00854267 Force max component initial, final = 0.040372 0.000930986 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 128 128 Pair time (%) = 0.115014 (89.4829) Neigh time (%) = 0 (0) Comm time (%) = 0.00105429 (0.820253) Outpt time (%) = 0.000802994 (0.624743) Other time (%) = 0.0116606 (9.07212) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3932 3383.3932 2829 4.7581263e-08 -2213.3374 -2213.3374 -3383.3932 3383.3932 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 = -2213.33735078 -2213.33735078 -2213.33735078 Force two-norm initial, final = 0.00854267 0.00854267 Force max component initial, final = 0.000930986 0.000930986 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00188327 (88.129) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.792145) Outpt time (%) = 0 (0) Other time (%) = 0.00023675 (11.0789) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3188 -2213.3188 -3381.3338 3381.3338 2760 0.015385745 -2213.3197 -2213.3197 -3381.7178 3381.7178 2770 0.083036557 -2213.3242 -2213.3242 -3384.4224 3384.4224 2780 0.10489992 -2213.3291 -2213.3291 -3380.9523 3380.9523 2790 0.27528422 -2213.3355 -2213.3355 -3380.1805 3380.1805 2800 0.00026854858 -2213.3364 -2213.3364 -3383.0859 3383.0859 2810 0.0062261766 -2213.3367 -2213.3367 -3383.5794 3383.5794 2820 0.0005331104 -2213.337 -2213.337 -3383.324 3383.324 2830 0.0033110731 -2213.3372 -2213.3372 -3383.488 3383.488 2840 0.0049509444 -2213.3373 -2213.3373 -3383.3461 3383.3461 2850 0.00016579283 -2213.3373 -2213.3373 -3383.4007 3383.4007 2860 0.00081320324 -2213.3374 -2213.3374 -3383.4143 3383.4143 2865 6.6286704e-05 -2213.3374 -2213.3374 -3383.3866 3383.3866 Loop time of 0.116173 on 1 procs for 115 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31881511 -2213.33737737 -2213.33737859 Force two-norm initial, final = 0.450375 0.00510291 Force max component initial, final = 0.0680517 0.00037245 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 115 115 Pair time (%) = 0.103016 (88.6743) Neigh time (%) = 0 (0) Comm time (%) = 0.0010159 (0.874473) Outpt time (%) = 0.000755072 (0.649954) Other time (%) = 0.0113864 (9.80124) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.387 3383.387 2866 1.6977924e-08 -2213.3374 -2213.3374 -3383.387 3383.387 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 = -2213.33737859 -2213.33737859 -2213.33737859 Force two-norm initial, final = 0.00510291 0.00510291 Force max component initial, final = 0.00037245 0.00037245 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00188613 (87.8122) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.843601) Outpt time (%) = 0 (0) Other time (%) = 0.000243664 (11.3442) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3265 -2213.3265 -3383.9423 3383.9423 2810 0.0038666193 -2213.3267 -2213.3267 -3384.0119 3384.0119 2820 0.024411212 -2213.328 -2213.328 -3384.5149 3384.5149 2830 0.075038714 -2213.3321 -2213.3321 -3383.7026 3383.7026 2840 0.052432276 -2213.3357 -2213.3357 -3382.9584 3382.9584 2850 0.0081148909 -2213.3361 -2213.3361 -3382.9998 3382.9998 2860 0.003358883 -2213.3367 -2213.3367 -3383.314 3383.314 2870 0.00084996147 -2213.3368 -2213.3368 -3383.2727 3383.2727 2880 0.0046399998 -2213.337 -2213.337 -3383.2403 3383.2403 2890 0.0034611952 -2213.3372 -2213.3372 -3383.3453 3383.3453 2900 2.0611799e-06 -2213.3374 -2213.3374 -3383.4336 3383.4336 2910 0.00012121161 -2213.3374 -2213.3374 -3383.4439 3383.4439 2920 0.00017750087 -2213.3374 -2213.3374 -3383.3902 3383.3902 2926 1.8127606e-05 -2213.3374 -2213.3374 -3383.3982 3383.3982 Loop time of 0.127389 on 1 procs for 126 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32645331 -2213.33737542 -2213.33737575 Force two-norm initial, final = 0.225119 0.00429468 Force max component initial, final = 0.0338453 0.000300301 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 126 126 Pair time (%) = 0.113448 (89.056) Neigh time (%) = 0 (0) Comm time (%) = 0.00104737 (0.822183) Outpt time (%) = 0.000815868 (0.640453) Other time (%) = 0.0120783 (9.4814) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2926 0 -2213.3374 -2213.3374 -3383.3984 3383.3984 2927 1.2025682e-08 -2213.3374 -2213.3374 -3383.3984 3383.3984 Loop time of 0.00223994 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737575 -2213.33737575 -2213.33737575 Force two-norm initial, final = 0.00429468 0.00429468 Force max component initial, final = 0.000300301 0.000300301 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.001858 (82.9484) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.713145) Outpt time (%) = 0 (0) Other time (%) = 0.000365973 (16.3385) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.326 -2213.326 -3379.4056 3379.4056 2760 0.0095934733 -2213.3266 -2213.3266 -3380.19 3380.19 2770 0.053251595 -2213.3293 -2213.3293 -3385.6813 3385.6813 2780 0.049331578 -2213.3312 -2213.3312 -3379.133 3379.133 2790 0.084434843 -2213.3346 -2213.3346 -3381.7359 3381.7359 2800 0.015208355 -2213.3351 -2213.3351 -3385.3889 3385.3889 2810 0.0059378688 -2213.3353 -2213.3353 -3383.0995 3383.0995 2820 0.024743218 -2213.3362 -2213.3362 -3385.051 3385.051 2830 0.024407531 -2213.337 -2213.337 -3380.8679 3380.8679 2840 7.7941307e-05 -2213.3371 -2213.3371 -3383.8597 3383.8597 2850 0.00074973149 -2213.3372 -2213.3372 -3382.9564 3382.9564 2860 0.00016690459 -2213.3373 -2213.3373 -3383.5446 3383.5446 2870 5.8807538e-05 -2213.3373 -2213.3373 -3383.2482 3383.2482 2880 0.00045735026 -2213.3373 -2213.3373 -3383.4213 3383.4213 2890 0.001552845 -2213.3374 -2213.3374 -3383.207 3383.207 2893 0.0004260088 -2213.3374 -2213.3374 -3383.3665 3383.3665 Loop time of 0.142276 on 1 procs for 143 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32604606 -2213.33737834 -2213.33738515 Force two-norm initial, final = 0.354814 0.00639399 Force max component initial, final = 0.0524354 0.000469646 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 143 143 Pair time (%) = 0.126623 (88.9984) Neigh time (%) = 0 (0) Comm time (%) = 0.0012033 (0.845749) Outpt time (%) = 0.000965357 (0.67851) Other time (%) = 0.013484 (9.47735) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3695 3383.3695 2894 2.6655884e-08 -2213.3374 -2213.3374 -3383.3695 3383.3695 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 = -2213.33738515 -2213.33738515 -2213.33738515 Force two-norm initial, final = 0.00639399 0.00639399 Force max component initial, final = 0.000469646 0.000469646 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00186396 (88.2991) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.813192) Outpt time (%) = 0 (0) Other time (%) = 0.000229836 (10.8877) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3309 -2213.3309 -3376.282 3376.282 2810 0.0089516982 -2213.3314 -2213.3314 -3377.4404 3377.4404 2820 0.041024939 -2213.3336 -2213.3336 -3385.7179 3385.7179 2830 0.032153419 -2213.3345 -2213.3345 -3378.3523 3378.3523 2840 0.091810273 -2213.3365 -2213.3365 -3382.1353 3382.1353 2850 1.4808962e-05 -2213.3367 -2213.3367 -3383.7725 3383.7725 2860 0.0018440053 -2213.3368 -2213.3368 -3383.286 3383.286 2870 0.0078019055 -2213.3372 -2213.3372 -3383.7264 3383.7264 2880 4.3434582e-06 -2213.3374 -2213.3374 -3383.4058 3383.4058 2890 0.00021736547 -2213.3374 -2213.3374 -3383.4131 3383.4131 2900 0.00012475444 -2213.3374 -2213.3374 -3383.4328 3383.4328 2910 8.8797897e-05 -2213.3374 -2213.3374 -3383.4017 3383.4017 2920 1.7942239e-05 -2213.3374 -2213.3374 -3383.4066 3383.4066 2930 8.6275108e-05 -2213.3374 -2213.3374 -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 = -2213.33085902 -2213.33738047 -2213.33738119 Force two-norm initial, final = 0.344359 0.00359395 Force max component initial, final = 0.0408438 0.000274262 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 130 130 Pair time (%) = 0.115192 (88.9432) Neigh time (%) = 0 (0) Comm time (%) = 0.00106525 (0.822515) Outpt time (%) = 0.000802994 (0.620016) Other time (%) = 0.0124516 (9.61429) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3995 3383.3995 2931 8.4215758e-09 -2213.3374 -2213.3374 -3383.3995 3383.3995 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 = -2213.33738119 -2213.33738119 -2213.33738119 Force two-norm initial, final = 0.00359395 0.00359395 Force max component initial, final = 0.000274262 0.000274262 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (87.1421) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.763616) Outpt time (%) = 0 (0) Other time (%) = 0.000256777 (12.0943) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3314 -2213.3314 -3377.9364 3377.9364 2860 0.010802937 -2213.332 -2213.332 -3378.7594 3378.7594 2870 0.045407585 -2213.3344 -2213.3344 -3384.6346 3384.6346 2880 0.03875809 -2213.3355 -2213.3355 -3378.8442 3378.8442 2890 0.0001139941 -2213.3365 -2213.3365 -3381.8353 3381.8353 2900 0.004020829 -2213.3368 -2213.3368 -3384.1741 3384.1741 2910 0.014937485 -2213.3371 -2213.3371 -3382.9348 3382.9348 2920 0.0019843292 -2213.3372 -2213.3372 -3383.6304 3383.6304 2930 0.0020687131 -2213.3373 -2213.3373 -3383.3831 3383.3831 2940 0.00027661079 -2213.3373 -2213.3373 -3383.3994 3383.3994 2950 0.0012334216 -2213.3373 -2213.3373 -3383.4697 3383.4697 2960 1.8033501e-05 -2213.3374 -2213.3374 -3383.4041 3383.4041 2970 0.00012835711 -2213.3374 -2213.3374 -3383.3924 3383.3924 2980 1.0547633e-05 -2213.3374 -2213.3374 -3383.4316 3383.4316 2982 8.2766712e-05 -2213.3374 -2213.3374 -3383.4064 3383.4064 Loop time of 0.131933 on 1 procs for 132 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33141196 -2213.33738704 -2213.33738849 Force two-norm initial, final = 0.379298 0.00398278 Force max component initial, final = 0.0400555 0.000416268 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 132 132 Pair time (%) = 0.117345 (88.9426) Neigh time (%) = 0 (0) Comm time (%) = 0.00106859 (0.809951) Outpt time (%) = 0.000873089 (0.661767) Other time (%) = 0.0126467 (9.58568) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.4069 3383.4069 2983 1.034242e-08 -2213.3374 -2213.3374 -3383.4069 3383.4069 Loop time of 0.00209188 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738849 -2213.33738849 -2213.33738849 Force two-norm initial, final = 0.00398278 0.00398278 Force max component initial, final = 0.000416268 0.000416268 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185204 (88.5343) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.820606) Outpt time (%) = 0 (0) Other time (%) = 0.000222683 (10.6451) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3216 -2213.3216 -3391.2557 3391.2557 2810 0.0073839053 -2213.3221 -2213.3221 -3390.4339 3390.4339 2820 0.041211714 -2213.3243 -2213.3243 -3383.9396 3383.9396 2830 0.052450927 -2213.3269 -2213.3269 -3388.152 3388.152 2840 0.06513199 -2213.333 -2213.333 -3383.6186 3383.6186 2850 0.018447578 -2213.3336 -2213.3336 -3381.2805 3381.2805 2860 0.00968057 -2213.3339 -2213.3339 -3383.6958 3383.6958 2870 0.044136215 -2213.3353 -2213.3353 -3381.0092 3381.0092 2880 0.00028551493 -2213.3362 -2213.3362 -3382.7953 3382.7953 2890 0.0041447895 -2213.3365 -2213.3365 -3383.9971 3383.9971 2900 0.0010637943 -2213.3368 -2213.3368 -3383.4121 3383.4121 2910 0.0045863965 -2213.3371 -2213.3371 -3383.0799 3383.0799 2920 5.0252347e-05 -2213.3372 -2213.3372 -3383.3606 3383.3606 2930 0.00053174471 -2213.3372 -2213.3372 -3383.4367 3383.4367 2940 0.00012492492 -2213.3373 -2213.3373 -3383.4255 3383.4255 2941 0.00018499419 -2213.3373 -2213.3373 -3383.4045 3383.4045 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 = -2213.32163339 -2213.33733481 -2213.33733736 Force two-norm initial, final = 0.311225 0.00878206 Force max component initial, final = 0.0327305 0.000714906 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 141 141 Pair time (%) = 0.124426 (89.3348) Neigh time (%) = 0 (0) Comm time (%) = 0.00115204 (0.827132) Outpt time (%) = 0.000934124 (0.670676) Other time (%) = 0.0127685 (9.16744) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.4057 3383.4057 2942 5.0285369e-08 -2213.3373 -2213.3373 -3383.4057 3383.4057 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 = -2213.33733736 -2213.33733736 -2213.33733736 Force two-norm initial, final = 0.00878206 0.00878206 Force max component initial, final = 0.000714906 0.000714906 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018611 (87.6586) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.808535) Outpt time (%) = 0 (0) Other time (%) = 0.000244856 (11.5328) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3282 -2213.3282 -3385.0498 3385.0498 2860 0.004619007 -2213.3285 -2213.3285 -3384.9802 3384.9802 2870 0.029673029 -2213.3301 -2213.3301 -3384.411 3384.411 2880 0.034732258 -2213.3317 -2213.3317 -3383.8943 3383.8943 2890 0.016247715 -2213.3357 -2213.3357 -3382.8341 3382.8341 2900 0.0052992129 -2213.3368 -2213.3368 -3383.2509 3383.2509 2910 0.00097659 -2213.3371 -2213.3371 -3383.2993 3383.2993 2920 2.5138529e-05 -2213.3372 -2213.3372 -3383.1812 3383.1812 2930 0.0013049826 -2213.3373 -2213.3373 -3383.455 3383.455 2940 0.00047653011 -2213.3373 -2213.3373 -3383.4539 3383.4539 2950 3.9326637e-06 -2213.3373 -2213.3373 -3383.448 3383.448 2953 5.7778536e-05 -2213.3373 -2213.3373 -3383.415 3383.415 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 = -2213.32818862 -2213.33734719 -2213.33734838 Force two-norm initial, final = 0.244833 0.00824885 Force max component initial, final = 0.0243185 0.000789037 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 103 103 Pair time (%) = 0.0915504 (89.2809) Neigh time (%) = 0 (0) Comm time (%) = 0.000852346 (0.831218) Outpt time (%) = 0.000662804 (0.646373) Other time (%) = 0.00947642 (9.24151) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3373 -2213.3373 -3383.4154 3383.4154 2954 5.3594471e-08 -2213.3373 -2213.3373 -3383.4154 3383.4154 Loop time of 0.00212288 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734838 -2213.33734838 -2213.33734838 Force two-norm initial, final = 0.00906641 0.00906641 Force max component initial, final = 0.000693634 0.000693634 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184798 (87.0508) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.763702) Outpt time (%) = 0 (0) Other time (%) = 0.000258684 (12.1855) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3197 -2213.3197 -3384.4124 3384.4124 2910 0.0082384368 -2213.3202 -2213.3202 -3384.4564 3384.4564 2920 0.058238142 -2213.3234 -2213.3234 -3384.708 3384.708 2930 0.059015803 -2213.3263 -2213.3263 -3383.5915 3383.5915 2940 0.043471856 -2213.3327 -2213.3327 -3381.0164 3381.0164 2950 0.015244618 -2213.3356 -2213.3356 -3382.6155 3382.6155 2960 0.0018599023 -2213.3359 -2213.3359 -3383.5957 3383.5957 2970 0.012993195 -2213.3366 -2213.3366 -3383.5015 3383.5015 2980 0.0037905052 -2213.3373 -2213.3373 -3383.3995 3383.3995 2990 1.6971819e-05 -2213.3373 -2213.3373 -3383.4664 3383.4664 3000 0.00027191973 -2213.3373 -2213.3373 -3383.4251 3383.4251 3003 0.0003812318 -2213.3374 -2213.3374 -3383.4064 3383.4064 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 = -2213.31970165 -2213.33734846 -2213.33735174 Force two-norm initial, final = 0.326088 0.00971902 Force max component initial, final = 0.0549315 0.000936841 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 103 103 Pair time (%) = 0.0919218 (89.3825) Neigh time (%) = 0 (0) Comm time (%) = 0.000852346 (0.828801) Outpt time (%) = 0.000659704 (0.64148) Other time (%) = 0.00940704 (9.14718) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.409 3383.409 3004 5.724072e-08 -2213.3374 -2213.3374 -3383.409 3383.409 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 = -2213.33735174 -2213.33735174 -2213.33735174 Force two-norm initial, final = 0.00936975 0.00936975 Force max component initial, final = 0.000974466 0.000974466 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (87.2302) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.809353) Outpt time (%) = 0 (0) Other time (%) = 0.000253677 (11.9604) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2212.763 -2212.763 -3609.44 3609.44 2860 0.092141702 -2212.7684 -2212.7684 -3606.5404 3606.5404 2870 0.45139618 -2212.7915 -2212.7915 -3579.1737 3579.1737 2880 0.40571653 -2212.8029 -2212.8029 -3558.248 3558.248 2890 0.00058354963 -2212.8157 -2212.8157 -3545.3411 3545.3411 2900 0.036183389 -2212.8179 -2212.8179 -3547.4839 3547.4839 2910 0.11659521 -2212.823 -2212.823 -3546.0315 3546.0315 2920 0.026142583 -2212.8244 -2212.8244 -3546.8218 3546.8218 2930 0.0061291382 -2212.825 -2212.825 -3544.4594 3544.4594 2940 0.0032024394 -2212.8263 -2212.8263 -3542.874 3542.874 2950 0.00080212428 -2212.8265 -2212.8265 -3542.3836 3542.3836 2960 0.0066661965 -2212.8269 -2212.8269 -3541.3863 3541.3863 2970 1.7023729e-05 -2212.8272 -2212.8272 -3539.9824 3539.9824 2980 0.00032843338 -2212.8272 -2212.8272 -3539.8438 3539.8438 2981 0.0004260218 -2212.8272 -2212.8272 -3539.801 3539.801 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 = -2212.76296765 -2212.82720976 -2212.82721534 Force two-norm initial, final = 1.10266 0.00972174 Force max component initial, final = 0.243697 0.000824176 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 131 131 Pair time (%) = 0.119533 (90.5675) Neigh time (%) = 0 (0) Comm time (%) = 0.00107932 (0.817778) Outpt time (%) = 0.000869513 (0.658811) Other time (%) = 0.0105004 (7.95595) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14246 ave 14246 max 14246 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14246 Ave neighs/atom = 27.8787 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2981 0 -2212.8272 -2212.8272 -3539.804 3539.804 2982 6.3763748e-08 -2212.8272 -2212.8272 -3539.804 3539.804 Loop time of 0.00215912 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82721534 -2212.82721534 -2212.82721534 Force two-norm initial, final = 0.00988923 0.00988923 Force max component initial, final = 0.000940053 0.000940053 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192475 (89.1453) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.784011) Outpt time (%) = 0 (0) Other time (%) = 0.000217438 (10.0707) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14250 ave 14250 max 14250 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14250 Ave neighs/atom = 27.8865 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.12988 Mbytes Step Temp PotEng pe Press press 2900 0 -2213.3262 -2213.3262 -3389.4054 3389.4054 2910 0.0053057974 -2213.3265 -2213.3265 -3388.6964 3388.6964 2920 0.032565669 -2213.3283 -2213.3283 -3383.2414 3383.2414 2930 0.078151331 -2213.3323 -2213.3323 -3387.4257 3387.4257 2940 0.035994498 -2213.3363 -2213.3363 -3383.214 3383.214 2950 0.0045816446 -2213.3366 -2213.3366 -3383.2876 3383.2876 2960 0.00047247327 -2213.337 -2213.337 -3382.9711 3382.9711 2970 0.00087821679 -2213.3372 -2213.3372 -3383.4722 3383.4722 2980 0.0019478767 -2213.3372 -2213.3372 -3383.4916 3383.4916 2990 0.00031819568 -2213.3373 -2213.3373 -3383.3159 3383.3159 3000 0.00029864783 -2213.3373 -2213.3373 -3383.3908 3383.3908 3010 8.7000595e-05 -2213.3373 -2213.3373 -3383.4785 3383.4785 3020 2.19044e-05 -2213.3373 -2213.3373 -3383.3855 3383.3855 3030 0.00016795758 -2213.3373 -2213.3373 -3383.4052 3383.4052 3039 0.00070757399 -2213.3374 -2213.3374 -3383.3869 3383.3869 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 = -2213.32621368 -2213.33737557 -2213.33738174 Force two-norm initial, final = 0.263546 0.00446896 Force max component initial, final = 0.0434475 0.000313785 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 139 139 Pair time (%) = 0.123321 (89.1058) Neigh time (%) = 0 (0) Comm time (%) = 0.00114036 (0.823969) Outpt time (%) = 0.000869036 (0.627925) Other time (%) = 0.013068 (9.44231) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -3383.3918 3383.3918 3040 1.3021518e-08 -2213.3374 -2213.3374 -3383.3918 3383.3918 Loop time of 0.00226021 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738174 -2213.33738174 -2213.33738174 Force two-norm initial, final = 0.00446896 0.00446896 Force max component initial, final = 0.000313785 0.000313785 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00199008 (88.0485) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.654008) Outpt time (%) = 0 (0) Other time (%) = 0.000255346 (11.2975) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3243 -2213.3243 -3390.9464 3390.9464 2960 0.010332767 -2213.3249 -2213.3249 -3390.1158 3390.1158 2970 0.04863924 -2213.3275 -2213.3275 -3383.4679 3383.4679 2980 0.088082724 -2213.3316 -2213.3316 -3387.0036 3387.0036 2990 0.25426724 -2213.3356 -2213.3356 -3381.906 3381.906 3000 0.00026343957 -2213.3365 -2213.3365 -3383.9635 3383.9635 3010 0.004580015 -2213.3367 -2213.3367 -3383.3476 3383.3476 3020 0.00049681095 -2213.3371 -2213.3371 -3383.4667 3383.4667 3030 0.00014117778 -2213.3371 -2213.3371 -3383.331 3383.331 3040 0.00089943653 -2213.3372 -2213.3372 -3383.4372 3383.4372 3050 0.0034109419 -2213.3373 -2213.3373 -3383.4679 3383.4679 3060 0.00015297476 -2213.3374 -2213.3374 -3383.3825 3383.3825 3070 3.8403344e-05 -2213.3374 -2213.3374 -3383.3906 3383.3906 3080 0.000177009 -2213.3374 -2213.3374 -3383.3979 3383.3979 Loop time of 0.129201 on 1 procs for 130 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32425046 -2213.33737136 -2213.33737312 Force two-norm initial, final = 0.370345 0.00515445 Force max component initial, final = 0.0383983 0.00042199 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 130 130 Pair time (%) = 0.114949 (88.9692) Neigh time (%) = 0 (0) Comm time (%) = 0.00105524 (0.816744) Outpt time (%) = 0.000799894 (0.619109) Other time (%) = 0.0123968 (9.59499) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3991 3383.3991 3081 1.732265e-08 -2213.3374 -2213.3374 -3383.3991 3383.3991 Loop time of 0.00212002 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737312 -2213.33737312 -2213.33737312 Force two-norm initial, final = 0.00515445 0.00515445 Force max component initial, final = 0.00042199 0.00042199 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185609 (87.5506) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.708502) Outpt time (%) = 0 (0) Other time (%) = 0.000248909 (11.7409) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3211 -2213.3211 -3392.4447 3392.4447 3010 0.011809049 -2213.3218 -2213.3218 -3391.4895 3391.4895 3020 0.04969351 -2213.3245 -2213.3245 -3383.891 3383.891 3030 0.09848352 -2213.3291 -2213.3291 -3388.58 3388.58 3040 0.321505 -2213.3353 -2213.3353 -3380.8378 3380.8378 3050 0.00032949987 -2213.3362 -2213.3362 -3383.6546 3383.6546 3060 0.0065780518 -2213.3365 -2213.3365 -3382.969 3382.969 3070 0.0020011764 -2213.3366 -2213.3366 -3383.1609 3383.1609 3080 0.0096137786 -2213.3369 -2213.3369 -3383.153 3383.153 3090 0.00058843689 -2213.3372 -2213.3372 -3383.3729 3383.3729 3100 0.00041152583 -2213.3373 -2213.3373 -3383.4204 3383.4204 3110 8.2536797e-05 -2213.3373 -2213.3373 -3383.3959 3383.3959 3120 0.00063213758 -2213.3373 -2213.3373 -3383.388 3383.388 3130 5.779753e-05 -2213.3374 -2213.3374 -3383.3926 3383.3926 3135 6.0538402e-06 -2213.3374 -2213.3374 -3383.3996 3383.3996 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 = -2213.32111835 -2213.33737413 -2213.33737427 Force two-norm initial, final = 0.396857 0.00483652 Force max component initial, final = 0.0608654 0.000344921 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 135 135 Pair time (%) = 0.11942 (89.0665) Neigh time (%) = 0 (0) Comm time (%) = 0.00110722 (0.825788) Outpt time (%) = 0.000865459 (0.64548) Other time (%) = 0.012687 (9.46224) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 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 -2213.3374 -2213.3374 -3383.3996 3383.3996 3136 1.52516e-08 -2213.3374 -2213.3374 -3383.3996 3383.3996 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 = -2213.33737427 -2213.33737427 -2213.33737427 Force two-norm initial, final = 0.00483652 0.00483652 Force max component initial, final = 0.000344921 0.000344921 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185323 (87.8702) Neigh time (%) = 0 (0) Comm time (%) = 1.54972e-05 (0.734795) Outpt time (%) = 0 (0) Other time (%) = 0.000240326 (11.395) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 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 33.7057 on 1 procs for 22 steps with 511 atoms TAD stats: NEB time (%) = 12.7307 (37.7701) Dynamics time (%) = 0 (0) Quench time (%) = 0 (0) Comm time (%) = 0 (0) Output time (%) = 0 (0) Other time (%) = 20.975 (62.2299) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0