LAMMPS (18 Feb 2013) 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 5.4310000000000000497 a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.0 0.0 0.0 basis 0.0 0.5 0.5 basis 0.5 0.0 0.5 basis 0.5 0.5 0.0 basis 0.25 0.25 0.25 basis 0.25 0.75 0.75 basis 0.75 0.25 0.75 basis 0.75 0.75 0.25 Lattice spacing in x,y,z = 5.431 5.431 5.431 region myreg block 0 4 0 4 0 4 create_box 1 myreg Created orthogonal box = (0 0 0) to (21.724 21.724 21.724) 1 by 1 by 1 MPI processor grid create_atoms 1 region myreg Created 512 atoms mass 1 28.06 group Si type 1 512 atoms in group Si velocity all create ${thi} 5287286 mom yes rot yes dist gaussian velocity all create 2400 5287286 mom yes rot yes dist gaussian # make a vacancy group del id 300 1 atoms in group del delete_atoms group del Deleted 1 atoms, new total = 511 pair_style sw pair_coeff * * Si.sw Si thermo 10 fix 1 all nve fix 2 all langevin ${thi} ${thi} 0.1 48278 fix 2 all langevin 2400 ${thi} 0.1 48278 fix 2 all langevin 2400 2400 0.1 48278 timestep 1.0e-3 neighbor 1.0 bin neigh_modify every 1 delay 10 check yes # equilibrate run 1000 Memory usage per processor = 2.0318 Mbytes Step Temp E_pair E_mol TotEng Press 0 2397.3877 -2211.666 0 -2053.6238 16437.395 10 1408.3954 -2139.6418 0 -2046.7966 19704.911 20 1093.6239 -2098.8191 0 -2026.7244 19039.499 30 1697.5623 -2125.7046 0 -2013.7967 14407.763 40 1432.3638 -2098.9446 0 -2004.5194 13762.586 50 1355.5121 -2075.899 0 -1986.54 15232.765 60 1740.8873 -2091.9136 0 -1977.1496 12856.126 70 1729.3154 -2080.3289 0 -1966.3278 13304.077 80 1544.9927 -2060.2808 0 -1958.4307 14545.574 90 1856.846 -2074.3867 0 -1951.9784 14679.213 100 1926.6837 -2075.6481 0 -1948.6359 15581.373 110 1952.0127 -2066.2941 0 -1937.6122 17867.407 120 2127.5273 -2070.5556 0 -1930.3033 18800.477 130 2263.2625 -2070.7786 0 -1921.5783 17480.258 140 2108.2074 -2055.1663 0 -1916.1876 18061.09 150 2108.0709 -2056.9914 0 -1918.0217 16185.697 160 2250.38 -2061.9776 0 -1913.6265 14775.208 170 2094.3406 -2051.5912 0 -1913.5267 15618.246 180 2133.2342 -2054.0585 0 -1913.43 14703.698 190 2167.8664 -2054.4793 0 -1911.5678 14412.634 200 2081.1592 -2044.2284 0 -1907.0328 16067.013 210 2193.7422 -2046.2424 0 -1901.6251 17491.305 220 2402.1726 -2058.7802 0 -1900.4225 16445.048 230 2236.7528 -2050.463 0 -1903.0103 15555.164 240 2073.9668 -2040.1169 0 -1903.3955 14943.188 250 2257.4854 -2050.8203 0 -1902.0008 15445.431 260 2315.568 -2051.1362 0 -1898.4877 16359.564 270 2262.0937 -2049.0576 0 -1899.9343 15948.584 280 2309.251 -2049.7917 0 -1897.5597 14754.994 290 2222.9618 -2047.2347 0 -1900.6911 14707.58 300 2150.8078 -2041.3575 0 -1899.5705 16172.518 310 2228.9047 -2040.8171 0 -1893.8817 17426.066 320 2376.2682 -2048.5423 0 -1891.8923 15802.606 330 2320.7227 -2042.4295 0 -1889.4413 16474.996 340 2310.4682 -2042.508 0 -1890.1957 16597.877 350 2466.8374 -2045.3922 0 -1882.7716 17771.513 360 2382.7707 -2044.9519 0 -1887.8733 16757.953 370 2318.9975 -2047.2097 0 -1894.3352 15267.698 380 2227.9435 -2038.9468 0 -1892.0748 15167.633 390 2241.238 -2035.6191 0 -1887.8707 16413.388 400 2298.3869 -2035.5143 0 -1883.9985 17573.361 410 2439.1094 -2041.2185 0 -1880.4259 17417.366 420 2438.0816 -2040.4181 0 -1879.6933 17000.799 430 2419.621 -2039.4524 0 -1879.9446 17277.841 440 2400.3962 -2036.392 0 -1878.1515 17353.749 450 2400.084 -2034.8541 0 -1876.6341 17301.395 460 2443.232 -2038.2591 0 -1877.1947 15880.125 470 2399.563 -2032.3026 0 -1874.117 14524.504 480 2379.1642 -2028.2813 0 -1871.4404 15080.571 490 2257.134 -2030.7105 0 -1881.9142 13267.538 500 2303.4365 -2033.254 0 -1881.4053 13303.626 510 2224.8834 -2029.9027 0 -1883.2324 15142.358 520 2259.6418 -2032.3898 0 -1883.4281 14426.825 530 2244.3528 -2036.563 0 -1888.6093 13611.835 540 2289.2186 -2033.577 0 -1882.6656 14593.524 550 2314.1805 -2030.4002 0 -1877.8432 16550.978 560 2434.1597 -2038.2171 0 -1877.7507 15320.174 570 2356.8023 -2033.9511 0 -1878.5843 15767.645 580 2448.0436 -2037.9988 0 -1876.6172 15958.914 590 2483.692 -2034.8435 0 -1871.1118 16533.816 600 2428.7684 -2032.2828 0 -1872.1719 17139.354 610 2369.1226 -2030.2599 0 -1874.081 15171.807 620 2351.8958 -2032.3817 0 -1877.3384 12759.907 630 2419.4363 -2037.1648 0 -1877.6691 12759.528 640 2306.8968 -2027.1601 0 -1875.0833 13699.543 650 2240.4669 -2023.1048 0 -1875.4073 14586.771 660 2303.5839 -2027.6735 0 -1875.8151 15077.465 670 2379.955 -2030.0505 0 -1873.1575 15633.06 680 2354.1404 -2030.6415 0 -1875.4502 16414.371 690 2427.7365 -2032.9922 0 -1872.9493 17097.223 700 2475.846 -2034.693 0 -1871.4786 18851.309 710 2456.3338 -2031.7442 0 -1869.8161 19487.645 720 2447.4768 -2037.4819 0 -1876.1377 17474.031 730 2435.1585 -2037.6942 0 -1877.162 16882.364 740 2391.3302 -2037.1798 0 -1879.5369 16071.534 750 2326.452 -2029.9922 0 -1876.6263 16117.229 760 2257.6714 -2022.4776 0 -1873.6458 17738.278 770 2371.2269 -2027.8008 0 -1871.4832 18100.791 780 2407.1838 -2030.3917 0 -1871.7037 17026.917 790 2367.9404 -2026.9448 0 -1870.8438 16038.578 800 2374.6123 -2033.0121 0 -1876.4713 14038.371 810 2424.6786 -2036.3506 0 -1876.5093 14206.078 820 2168.9017 -2026.7054 0 -1883.7256 16263.054 830 2323.0047 -2033.1056 0 -1879.967 17703.971 840 2498.7372 -2040.984 0 -1876.2606 17876.907 850 2460.7818 -2036.0467 0 -1873.8254 18545.104 860 2492.3205 -2034.6257 0 -1870.3253 19534.056 870 2575.2601 -2040.6532 0 -1870.8852 18719.18 880 2401.7961 -2030.4479 0 -1872.1151 17576.352 890 2386.7565 -2029.1495 0 -1871.8081 16681.21 900 2331.1129 -2028.8907 0 -1875.2175 14827.322 910 2414.7425 -2029.6198 0 -1870.4335 15192.331 920 2454.6751 -2027.6775 0 -1865.8587 15974.309 930 2428.2206 -2031.2363 0 -1871.1615 16206.415 940 2338.8519 -2027.1405 0 -1872.9572 15790.925 950 2342.8708 -2025.5463 0 -1871.0979 14662.456 960 2446.3658 -2027.9008 0 -1866.6298 16178.407 970 2479.8875 -2029.3424 0 -1865.8616 15827.32 980 2477.0203 -2028.29 0 -1864.9982 14789.439 990 2409.3478 -2024.9793 0 -1866.1486 14519.793 1000 2403.9699 -2022.9475 0 -1864.4714 15470.426 Loop time of 2.32045 on 1 procs for 1000 steps with 511 atoms Pair time (%) = 2.23561 (96.3438) Neigh time (%) = 0.0379391 (1.63499) Comm time (%) = 0.00937676 (0.404093) Outpt time (%) = 0.00080061 (0.0345024) Other time (%) = 0.0367236 (1.58261) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1021 ave 1021 max 1021 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 13046 ave 13046 max 13046 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 13046 Ave neighs/atom = 25.5303 Neighbor list builds = 56 Dangerous builds = 0 # Eliminate COM motion velocity all zero linear # only output atoms near vacancy compute coord all coord/atom $r compute coord all coord/atom 2.8349999999999999645 #dump events all custom 1 dump.prd id type x y z #dump_modify events thresh c_coord != 4 compute patom all pe/atom compute pe all reduce sum c_patom compute satom all stress/atom compute str all reduce sum c_satom[1] c_satom[2] c_satom[3] variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol) thermo_style custom step temp pe c_pe press v_press compute event all event/displace 1.0 unfix 1 unfix 2 fix 1 all nvt temp ${thi} ${thi} 0.1 fix 1 all nvt temp 2400 ${thi} 0.1 fix 1 all nvt temp 2400 2400 0.1 # tad nsteps nevent tlo thi delta_conf tmax compute # [min etol ftol niter neval] # [neb etol_neb ftol_neb n1steps n2steps nevery] # [min_style min_style] # [neb_style min_style] # [neb_log logfile] tad 2000 50 ${tlo} ${thi} 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 ${thi} 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 100 ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 100 100 neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb Memory usage per processor = 4.43506 Mbytes Step Temp PotEng pe Press press 1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21 1010 2402.628 -2209.0552 -2209.0552 13124.77 -13124.77 1020 2402.628 -2213.2419 -2213.2419 13109.348 -13109.348 1022 2402.628 -2213.2803 -2213.2803 13111.643 -13111.643 Loop time of 0.05654 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 (%) = 2.28957 (4049.46) Neigh time (%) = 0.0392489 (69.418) Comm time (%) = 0.00982738 (17.3813) Outpt time (%) = 0.000933647 (1.6513) Other time (%) = -2.28304 (-4037.91) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1150 0 -2208.1718 -2208.1718 -3227.0211 3227.0211 1160 1.1733253e-07 -2208.1719 -2208.1719 -3227.0379 3227.0379 1170 1.2862776e-06 -2208.1726 -2208.1726 -3227.2138 3227.2138 1180 6.2760279e-06 -2208.1756 -2208.1756 -3227.9792 3227.9792 1190 3.3601038e-05 -2208.1922 -2208.1922 -3232.1574 3232.1574 1200 0.00013019566 -2208.2515 -2208.2515 -3247.1018 3247.1018 1210 0.00057570453 -2208.5222 -2208.5222 -3316.5011 3316.5011 1220 0.0016320654 -2209.1721 -2209.1721 -3492.6305 3492.6305 1230 0.0027148483 -2210.2729 -2210.2729 -3760.8155 3760.8155 1240 0.0024756439 -2211.5384 -2211.5384 -3542.7558 3542.7558 1250 0.0041839228 -2212.4358 -2212.4358 -3309.7579 3309.7579 1260 0.00019350505 -2209.2944 -2209.2944 -3498.3492 3498.3492 1270 0.0005266455 -2210.565 -2210.565 -3701.4099 3701.4099 1280 0.0013037694 -2211.6611 -2211.6611 -3514.6377 3514.6377 1290 0.00014758664 -2212.7112 -2212.7112 -3419.5491 3419.5491 1300 0.00056144907 -2213.0208 -2213.0208 -3366.2897 3366.2897 1310 1.2576152e-06 -2213.2324 -2213.2324 -3376.2886 3376.2886 1320 8.0337785e-05 -2213.2583 -2213.2583 -3398.8974 3398.8974 1330 7.8785645e-07 -2213.2969 -2213.2969 -3380.1374 3380.1374 1340 5.5694247e-06 -2213.2975 -2213.2975 -3385.1786 3385.1786 1350 6.9876434e-05 -2213.2909 -2213.2909 -3384.8581 3384.8581 Loop time of 0.203291 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2208.17179808 -2213.29319585 -2213.29085797 Force two-norm initial, final = 11.6554 0.335826 Force max component initial, final = 6.62337 0.0362959 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.182448 (89.7474) Neigh time (%) = 0.00127506 (0.627211) Comm time (%) = 0.00163937 (0.806414) Outpt time (%) = 0.00131607 (0.647383) Other time (%) = 0.0166121 (8.17157) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14258 ave 14258 max 14258 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14258 Ave neighs/atom = 27.9022 Neighbor list builds = 2 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1350 0 -2213.2909 -2213.2909 -3384.8586 3384.8586 1360 9.740913e-11 -2213.2909 -2213.2909 -3384.8586 3384.8586 1370 1.0680847e-09 -2213.2909 -2213.2909 -3384.8586 3384.8586 1380 5.2164951e-09 -2213.2909 -2213.2909 -3384.8585 3384.8585 1390 2.8072894e-08 -2213.2909 -2213.2909 -3384.8579 3384.8579 1400 1.1094315e-07 -2213.2908 -2213.2908 -3384.8557 3384.8557 1410 5.3869668e-07 -2213.2907 -2213.2907 -3384.8451 3384.8451 1420 2.0968729e-06 -2213.2904 -2213.2904 -3384.8124 3384.8124 1430 9.9189874e-06 -2213.2886 -2213.2886 -3384.7473 3384.7473 1440 3.162191e-05 -2213.2813 -2213.2813 -3385.2135 3385.2135 1450 8.1692841e-05 -2213.2346 -2213.2346 -3388.5611 3388.5611 1460 5.5542794e-09 -2213.2194 -2213.2194 -3390.1489 3390.1489 1470 3.2030586e-07 -2213.222 -2213.222 -3389.9284 3389.9284 1480 8.5704734e-07 -2213.2313 -2213.2313 -3389.5386 3389.5386 1490 2.3162399e-10 -2213.2352 -2213.2352 -3389.2452 3389.2452 1500 4.2370897e-08 -2213.2356 -2213.2356 -3389.2006 3389.2006 1510 1.7640748e-07 -2213.2388 -2213.2388 -3388.9272 3388.9272 Loop time of 0.160341 on 1 procs for 160 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29085797 -2213.23820957 -2213.23875112 Force two-norm initial, final = 0.335826 0.00809973 Force max component initial, final = 0.0362959 0.000736646 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 160 160 Pair time (%) = 0.140505 (87.6286) Neigh time (%) = 0 (0) Comm time (%) = 0.00129938 (0.810386) Outpt time (%) = 0.000983715 (0.613514) Other time (%) = 0.0175533 (10.9475) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1550 0 -2212.7878 -2212.7878 -3603.9978 3603.9978 1560 8.5937597e-10 -2212.7878 -2212.7878 -3603.9976 3603.9976 1570 9.4221974e-09 -2212.7878 -2212.7878 -3603.9952 3603.9952 1580 4.5997797e-08 -2212.7878 -2212.7878 -3603.9849 3603.9849 1590 2.4700006e-07 -2212.7879 -2212.7879 -3603.9283 3603.9283 1600 9.6740827e-07 -2212.7884 -2212.7884 -3603.7217 3603.7217 1610 4.5086458e-06 -2212.7905 -2212.7905 -3602.6662 3602.6662 1620 1.4938245e-05 -2212.797 -2212.797 -3598.91 3598.91 1630 3.368484e-05 -2212.8116 -2212.8116 -3581.0284 3581.0284 1640 2.2812554e-05 -2212.819 -2212.819 -3561.2473 3561.2473 1650 1.6694571e-05 -2212.8229 -2212.8229 -3537.3927 3537.3927 1660 1.178121e-05 -2212.8229 -2212.8229 -3524.9391 3524.9391 1670 6.2482459e-07 -2212.8265 -2212.8265 -3531.1619 3531.1619 1680 1.0890234e-06 -2212.827 -2212.827 -3534.188 3534.188 1690 3.986313e-08 -2212.8271 -2212.8271 -3540.0966 3540.0966 1700 3.6991708e-08 -2212.8272 -2212.8272 -3540.5581 3540.5581 1710 1.0460742e-07 -2212.8273 -2212.8273 -3539.2859 3539.2859 1716 9.1985495e-09 -2212.8273 -2212.8273 -3538.6767 3538.6767 Loop time of 0.166743 on 1 procs for 166 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.78775693 -2212.82728644 -2212.827288 Force two-norm initial, final = 0.997487 0.00937149 Force max component initial, final = 0.231841 0.00102351 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.152166 (91.2576) Neigh time (%) = 0 (0) Comm time (%) = 0.0013783 (0.8266) Outpt time (%) = 0.00105739 (0.634141) Other time (%) = 0.0121417 (7.28169) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1716 0 -2212.8273 -2212.8273 -3538.6767 3538.6767 1717 6.1538879e-16 -2212.8273 -2212.8273 -3538.6767 3538.6767 Loop time of 0.00216007 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.827288 -2212.827288 -2212.827288 Force two-norm initial, final = 0.00937371 0.00937371 Force max component initial, final = 0.00102355 0.00102355 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00194597 (90.0883) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.739514) Outpt time (%) = 0 (0) Other time (%) = 0.000198126 (9.17219) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1950 0 -2209.3761 -2209.3761 -3142.2135 3142.2135 1960 8.0693615e-08 -2209.3762 -2209.3762 -3142.2256 3142.2256 1970 8.8464021e-07 -2209.3766 -2209.3766 -3142.3526 3142.3526 1980 4.3168586e-06 -2209.3787 -2209.3787 -3142.9055 3142.9055 1990 2.3126608e-05 -2209.3902 -2209.3902 -3145.9262 3145.9262 2000 8.9819028e-05 -2209.4311 -2209.4311 -3156.7676 3156.7676 2010 0.00040151573 -2209.6209 -2209.6209 -3207.9128 3207.9128 2020 0.0011726103 -2210.098 -2210.098 -3344.7411 3344.7411 2030 0.0019560621 -2210.9298 -2210.9298 -3581.0137 3581.0137 2040 0.00078571943 -2211.5357 -2211.5357 -3446.0011 3446.0011 2050 6.3506492e-06 -2212.4197 -2212.4197 -3498.58 3498.58 2060 0.00024646572 -2212.3642 -2212.3642 -3493.4062 3493.4062 2070 7.9785049e-05 -2212.1449 -2212.1449 -3500.0533 3500.0533 2080 0.00014139966 -2211.6501 -2211.6501 -3498.8228 3498.8228 2090 8.8179033e-06 -2211.6034 -2211.6034 -3481.3701 3481.3701 2100 5.8560005e-07 -2211.4398 -2211.4398 -3463.5113 3463.5113 2110 5.9613318e-07 -2211.4379 -2211.4379 -3482.3939 3482.3939 2120 1.3118683e-06 -2211.4286 -2211.4286 -3475.6555 3475.6555 2130 2.1594801e-06 -2211.3815 -2211.3815 -3472.4272 3472.4272 2140 1.1837736e-07 -2211.358 -2211.358 -3476.0878 3476.0878 2150 6.016045e-08 -2211.3398 -2211.3398 -3473.3638 3473.3638 Loop time of 0.203043 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2209.37612147 -2211.33982433 -2211.33982433 Force two-norm initial, final = 9.66579 0.127962 Force max component initial, final = 5.33469 0.0713942 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.183336 (90.2941) Neigh time (%) = 0 (0) Comm time (%) = 0.00160146 (0.788728) Outpt time (%) = 0.00134349 (0.661677) Other time (%) = 0.0167623 (8.25552) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14232 ave 14232 max 14232 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14232 Ave neighs/atom = 27.8513 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 0 -2211.3398 -2211.3398 -3473.3638 3473.3638 2160 1.4142515e-11 -2211.3398 -2211.3398 -3473.3639 3473.3639 2170 1.5504963e-10 -2211.3398 -2211.3398 -3473.3647 3473.3647 2180 7.5673771e-10 -2211.3398 -2211.3398 -3473.3681 3473.3681 2190 4.0578306e-09 -2211.3398 -2211.3398 -3473.3868 3473.3868 2200 1.5811818e-08 -2211.3398 -2211.3398 -3473.4548 3473.4548 2210 7.174816e-08 -2211.3398 -2211.3398 -3473.794 3473.794 2220 2.1504708e-07 -2211.3396 -2211.3396 -3474.8973 3474.8973 2230 1.4681933e-07 -2211.3381 -2211.3381 -3477.9351 3477.9351 2240 1.5319066e-07 -2211.3341 -2211.3341 -3475.7509 3475.7509 2250 3.8051471e-07 -2211.3205 -2211.3205 -3476.1759 3476.1759 2260 3.1536309e-09 -2211.3176 -2211.3176 -3476.7038 3476.7038 2263 7.436273e-09 -2211.3174 -2211.3174 -3476.4686 3476.4686 Loop time of 0.116555 on 1 procs for 113 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2211.33982433 -2211.31748495 -2211.31741581 Force two-norm initial, final = 0.127962 0.00946178 Force max component initial, final = 0.0713942 0.00261171 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 113 113 Pair time (%) = 0.105618 (90.6167) Neigh time (%) = 0 (0) Comm time (%) = 0.000988245 (0.847879) Outpt time (%) = 0.000732183 (0.628187) Other time (%) = 0.00921631 (7.90726) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2350 0 -2212.7804 -2212.7804 -3607.4239 3607.4239 2360 9.4000454e-10 -2212.7804 -2212.7804 -3607.4237 3607.4237 2370 1.0306238e-08 -2212.7804 -2212.7804 -3607.4212 3607.4212 2380 5.031458e-08 -2212.7804 -2212.7804 -3607.4106 3607.4106 2390 2.7020258e-07 -2212.7805 -2212.7805 -3607.352 3607.352 2400 1.058764e-06 -2212.781 -2212.781 -3607.1382 3607.1382 2410 4.9426779e-06 -2212.7834 -2212.7834 -3606.0444 3606.0444 2420 1.654706e-05 -2212.7905 -2212.7905 -3602.1273 3602.1273 2430 3.9147993e-05 -2212.8065 -2212.8065 -3582.9604 3582.9604 2440 2.599912e-05 -2212.8147 -2212.8147 -3562.2477 3562.2477 2450 1.9911897e-05 -2212.8202 -2212.8202 -3539.4891 3539.4891 2460 1.0451866e-05 -2212.825 -2212.825 -3537.3626 3537.3626 2470 1.2480977e-06 -2212.8265 -2212.8265 -3534.4046 3534.4046 2480 1.3635312e-06 -2212.8269 -2212.8269 -3537.8031 3537.8031 2490 2.854552e-07 -2212.827 -2212.827 -3538.2063 3538.2063 2500 4.1826301e-08 -2212.827 -2212.827 -3538.3754 3538.3754 2510 2.2559061e-07 -2212.8271 -2212.8271 -3539.1749 3539.1749 2520 3.613106e-07 -2212.8272 -2212.8272 -3540.6302 3540.6302 2527 2.7240166e-08 -2212.8273 -2212.8273 -3540.3483 3540.3483 Loop time of 0.178356 on 1 procs for 177 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.78036278 -2212.82727357 -2212.82727535 Force two-norm initial, final = 1.04323 0.00967124 Force max component initial, final = 0.23682 0.00197849 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 177 177 Pair time (%) = 0.163089 (91.4403) Neigh time (%) = 0 (0) Comm time (%) = 0.00141358 (0.792563) Outpt time (%) = 0.00113106 (0.634158) Other time (%) = 0.012722 (7.13294) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2527 0 -2212.8273 -2212.8273 -3540.3483 3540.3483 2530 6.5117747e-15 -2212.8273 -2212.8273 -3540.3483 3540.3483 2540 1.9545235e-13 -2212.8273 -2212.8273 -3540.3483 3540.3483 2550 1.6784108e-12 -2212.8273 -2212.8273 -3540.3483 3540.3483 2560 7.7534117e-12 -2212.8273 -2212.8273 -3540.3482 3540.3482 2570 4.0273262e-11 -2212.8273 -2212.8273 -3540.3478 3540.3478 2580 1.5728048e-10 -2212.8273 -2212.8273 -3540.3465 3540.3465 2584 2.9457297e-10 -2212.8273 -2212.8273 -3540.3449 3540.3449 Loop time of 0.0581429 on 1 procs for 57 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82727535 -2212.82727544 -2212.82727546 Force two-norm initial, final = 0.010164 0.00999439 Force max component initial, final = 0.00221896 0.00221473 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 57 57 Pair time (%) = 0.0530813 (91.2945) Neigh time (%) = 0 (0) Comm time (%) = 0.000464678 (0.7992) Outpt time (%) = 0.000439882 (0.756554) Other time (%) = 0.00415707 (7.14974) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2800 0 -2208.8483 -2208.8483 -3052.5382 3052.5382 2810 1.0526723e-07 -2208.8484 -2208.8484 -3052.554 3052.554 2820 1.1540113e-06 -2208.849 -2208.849 -3052.719 3052.719 2830 5.6307037e-06 -2208.8517 -2208.8517 -3053.4377 3053.4377 2840 3.0146991e-05 -2208.8667 -2208.8667 -3057.3621 3057.3621 2850 0.00011682313 -2208.9199 -2208.9199 -3071.417 3071.417 2860 0.00051666017 -2209.163 -2209.163 -3137.0904 3137.0904 2870 0.0014589928 -2209.7452 -2209.7452 -3307.7773 3307.7773 2880 0.0021638981 -2210.6474 -2210.6474 -3593.9277 3593.9277 2890 0.00083599037 -2211.2809 -2211.2809 -3429.1378 3429.1378 2900 0.001071445 -2212.3606 -2212.3606 -3459.5023 3459.5023 2910 2.2055098e-05 -2212.4862 -2212.4862 -3480.818 3480.818 2920 0.00015499474 -2212.3629 -2212.3629 -3474.9632 3474.9632 2930 0.00024444951 -2211.5607 -2211.5607 -3445.2075 3445.2075 2940 1.2317244e-06 -2211.2116 -2211.2116 -3459.6284 3459.6284 2950 1.0919294e-05 -2211.2288 -2211.2288 -3486.2261 3486.2261 2960 1.6502675e-06 -2211.2494 -2211.2494 -3474.589 3474.589 2970 1.6690579e-07 -2211.2514 -2211.2514 -3477.3058 3477.3058 2980 4.4074837e-07 -2211.2592 -2211.2592 -3475.0467 3475.0467 2990 1.5269423e-06 -2211.284 -2211.284 -3473.9852 3473.9852 3000 8.0527694e-09 -2211.2972 -2211.2972 -3477.6674 3477.6674 Loop time of 0.201283 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2208.84830981 -2211.29722847 -2211.29722847 Force two-norm initial, final = 11.0399 0.0851206 Force max component initial, final = 6.46908 0.0426169 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.179863 (89.3585) Neigh time (%) = 0 (0) Comm time (%) = 0.00162697 (0.808299) Outpt time (%) = 0.00133133 (0.661422) Other time (%) = 0.0184612 (9.17178) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14232 ave 14232 max 14232 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14232 Ave neighs/atom = 27.8513 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3000 0 -2211.2972 -2211.2972 -3477.6674 3477.6674 3010 6.2579993e-12 -2211.2972 -2211.2972 -3477.6674 3477.6674 3020 6.860886e-11 -2211.2972 -2211.2972 -3477.6668 3477.6668 3030 3.348551e-10 -2211.2972 -2211.2972 -3477.6645 3477.6645 3040 1.79564e-09 -2211.2972 -2211.2972 -3477.6519 3477.6519 3050 6.9975603e-09 -2211.2972 -2211.2972 -3477.6058 3477.6058 3060 3.1771832e-08 -2211.2972 -2211.2972 -3477.3753 3477.3753 3070 9.5376116e-08 -2211.2969 -2211.2969 -3476.6213 3476.6213 3080 9.2928516e-08 -2211.2953 -2211.2953 -3474.4887 3474.4887 3090 1.4617599e-07 -2211.2912 -2211.2912 -3476.0725 3476.0725 3100 2.7727432e-07 -2211.2813 -2211.2813 -3476.6436 3476.6436 3105 3.4708892e-08 -2211.2815 -2211.2815 -3475.5206 3475.5206 Loop time of 0.106131 on 1 procs for 105 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2211.29722847 -2211.28141339 -2211.28152071 Force two-norm initial, final = 0.0851206 0.00924307 Force max component initial, final = 0.0426169 0.00347619 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 105 105 Pair time (%) = 0.0956087 (90.0855) Neigh time (%) = 0 (0) Comm time (%) = 0.000867367 (0.81726) Outpt time (%) = 0.000653505 (0.615753) Other time (%) = 0.00900149 (8.48149) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1600 0 -2213.2863 -2213.2863 -3390.9484 3390.9484 1610 1.0802774e-10 -2213.2863 -2213.2863 -3390.9484 3390.9484 1620 1.1844524e-09 -2213.2863 -2213.2863 -3390.948 3390.948 1630 5.7831676e-09 -2213.2863 -2213.2863 -3390.9462 3390.9462 1640 3.1078516e-08 -2213.2863 -2213.2863 -3390.9364 3390.9364 1650 1.2208808e-07 -2213.2863 -2213.2863 -3390.9009 3390.9009 1660 5.7742399e-07 -2213.2866 -2213.2866 -3390.7223 3390.7223 1670 2.0298286e-06 -2213.2875 -2213.2875 -3390.1249 3390.1249 1680 6.8071172e-06 -2213.2906 -2213.2906 -3387.8788 3387.8788 1690 1.1261376e-05 -2213.2959 -2213.2959 -3387.3281 3387.3281 1700 4.6856155e-05 -2213.3154 -2213.3154 -3385.2442 3385.2442 1710 9.4116868e-07 -2213.3347 -2213.3347 -3383.6652 3383.6652 1720 4.4255215e-07 -2213.3354 -2213.3354 -3383.3107 3383.3107 1730 1.6727692e-06 -2213.3364 -2213.3364 -3383.0534 3383.0534 1740 7.8758207e-08 -2213.337 -2213.337 -3383.4068 3383.4068 1750 2.4727639e-08 -2213.337 -2213.337 -3383.3204 3383.3204 1760 1.7823084e-07 -2213.3371 -2213.3371 -3383.2652 3383.2652 1770 3.6028417e-09 -2213.3373 -2213.3373 -3383.2802 3383.2802 1772 1.1996531e-08 -2213.3373 -2213.3373 -3383.3726 3383.3726 Loop time of 0.169733 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28625932 -2213.33727477 -2213.33727692 Force two-norm initial, final = 0.353657 0.00966774 Force max component initial, final = 0.0444147 0.000878499 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.154494 (91.0218) Neigh time (%) = 0 (0) Comm time (%) = 0.00152445 (0.898145) Outpt time (%) = 0.00113177 (0.666796) Other time (%) = 0.0125828 (7.41328) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1772 0 -2213.3373 -2213.3373 -3383.3726 3383.3726 1780 8.6804618e-14 -2213.3373 -2213.3373 -3383.3726 3383.3726 1790 1.0956051e-12 -2213.3373 -2213.3373 -3383.3726 3383.3726 1800 6.0870408e-12 -2213.3373 -2213.3373 -3383.3726 3383.3726 1810 3.1462249e-11 -2213.3373 -2213.3373 -3383.3728 3383.3728 1820 1.3333439e-10 -2213.3373 -2213.3373 -3383.3734 3383.3734 1830 6.099352e-10 -2213.3373 -2213.3373 -3383.3761 3383.3761 1840 2.4806328e-09 -2213.3373 -2213.3373 -3383.3861 3383.3861 1850 1.1116394e-08 -2213.3373 -2213.3373 -3383.4177 3383.4177 1860 4.1573962e-08 -2213.3373 -2213.3373 -3383.4205 3383.4205 1870 1.8625256e-07 -2213.3372 -2213.3372 -3383.4593 3383.4593 1880 2.2607602e-08 -2213.337 -2213.337 -3383.6172 3383.6172 1890 2.3074993e-08 -2213.337 -2213.337 -3383.4198 3383.4198 1900 1.289123e-07 -2213.337 -2213.337 -3383.454 3383.454 1910 4.5748033e-07 -2213.3367 -2213.3367 -3383.4698 3383.4698 1920 3.7205062e-08 -2213.3366 -2213.3366 -3383.3878 3383.3878 1930 3.8853705e-07 -2213.3365 -2213.3365 -3383.4125 3383.4125 1940 1.9762349e-06 -2213.3354 -2213.3354 -3383.41 3383.41 1950 8.9280957e-08 -2213.334 -2213.334 -3383.2822 3383.2822 1960 9.879092e-07 -2213.3342 -2213.3342 -3384.1504 3384.1504 1970 2.5612794e-07 -2213.3337 -2213.3337 -3383.5982 3383.5982 1972 6.0480979e-07 -2213.3338 -2213.3338 -3383.7063 3383.7063 Loop time of 0.196566 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33727692 -2213.33375964 -2213.33376945 Force two-norm initial, final = 0.013397 0.0794832 Force max component initial, final = 0.00108968 0.0061053 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.177464 (90.2819) Neigh time (%) = 0 (0) Comm time (%) = 0.00160575 (0.8169) Outpt time (%) = 0.00138855 (0.706403) Other time (%) = 0.0161083 (8.19484) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1650 0 -2212.7686 -2212.7686 -3602.6038 3602.6038 1660 8.7893572e-10 -2212.7686 -2212.7686 -3602.6036 3602.6036 1670 9.636669e-09 -2212.7686 -2212.7686 -3602.6013 3602.6013 1680 4.7045423e-08 -2212.7686 -2212.7686 -3602.5912 3602.5912 1690 2.5263936e-07 -2212.7687 -2212.7687 -3602.5355 3602.5355 1700 9.8977617e-07 -2212.7692 -2212.7692 -3602.3322 3602.3322 1710 4.6179887e-06 -2212.7714 -2212.7714 -3601.2931 3601.2931 1720 1.5399697e-05 -2212.7781 -2212.7781 -3597.5833 3597.5833 1730 3.6104985e-05 -2212.7933 -2212.7933 -3579.7199 3579.7199 1740 2.9861401e-05 -2212.8036 -2212.8036 -3559.9 3559.9 1750 3.8769575e-05 -2212.8185 -2212.8185 -3534.3793 3534.3793 1760 1.1851774e-05 -2212.8227 -2212.8227 -3524.4561 3524.4561 1770 7.1136162e-07 -2212.8264 -2212.8264 -3529.6454 3529.6454 1780 1.3451539e-06 -2212.8269 -2212.8269 -3533.1959 3533.1959 1790 2.3958683e-07 -2212.8272 -2212.8272 -3537.7174 3537.7174 1800 3.3161034e-08 -2212.8272 -2212.8272 -3538.0995 3538.0995 1810 8.4450515e-08 -2212.8273 -2212.8273 -3538.3761 3538.3761 1820 1.5827837e-08 -2212.8273 -2212.8273 -3538.3645 3538.3645 1821 1.9143207e-08 -2212.8273 -2212.8273 -3538.376 3538.376 Loop time of 0.169756 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.76856497 -2212.82727661 -2212.82727816 Force two-norm initial, final = 1.00877 0.00819935 Force max component initial, final = 0.258592 0.000878457 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.155079 (91.3542) Neigh time (%) = 0 (0) Comm time (%) = 0.00137353 (0.80912) Outpt time (%) = 0.00111413 (0.656313) Other time (%) = 0.0121891 (7.1804) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1821 0 -2212.8273 -2212.8273 -3538.376 3538.376 1822 4.6826184e-16 -2212.8273 -2212.8273 -3538.376 3538.376 Loop time of 0.00215316 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82727816 -2212.82727816 -2212.82727816 Force two-norm initial, final = 0.00817676 0.00817676 Force max component initial, final = 0.000881382 0.000881382 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192213 (89.2703) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.786181) Outpt time (%) = 0 (0) Other time (%) = 0.0002141 (9.94353) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1700 0 -2212.7595 -2212.7595 -3600.4028 3600.4028 1710 8.7015674e-10 -2212.7595 -2212.7595 -3600.4025 3600.4025 1720 9.540429e-09 -2212.7595 -2212.7595 -3600.4002 3600.4002 1730 4.6575687e-08 -2212.7595 -2212.7595 -3600.39 3600.39 1740 2.5012358e-07 -2212.7597 -2212.7597 -3600.3342 3600.3342 1750 9.7994321e-07 -2212.7601 -2212.7601 -3600.1303 3600.1303 1760 4.574271e-06 -2212.7623 -2212.7623 -3599.0894 3599.0894 1770 1.5255516e-05 -2212.769 -2212.769 -3595.394 3595.394 1780 3.6883641e-05 -2212.7851 -2212.7851 -3577.9685 3577.9685 1790 3.8159243e-05 -2212.7988 -2212.7988 -3558.3802 3558.3802 1800 5.1200792e-05 -2212.8186 -2212.8186 -3534.6019 3534.6019 1810 9.4830182e-06 -2212.8241 -2212.8241 -3529.0538 3529.0538 1820 1.0897834e-06 -2212.8255 -2212.8255 -3530.9746 3530.9746 1830 2.0851265e-06 -2212.8264 -2212.8264 -3533.3813 3533.3813 1840 3.3631323e-07 -2212.827 -2212.827 -3537.7112 3537.7112 1850 4.6638693e-08 -2212.8272 -2212.8272 -3538.5443 3538.5443 1860 1.3928263e-07 -2212.8272 -2212.8272 -3538.5303 3538.5303 1870 2.3270634e-07 -2212.8273 -2212.8273 -3538.2868 3538.2868 1874 2.269463e-08 -2212.8273 -2212.8273 -3538.3821 3538.3821 Loop time of 0.173377 on 1 procs for 174 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.75951715 -2212.82728046 -2212.82728326 Force two-norm initial, final = 1.00372 0.00636652 Force max component initial, final = 0.243856 0.000631606 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.158558 (91.4526) Neigh time (%) = 0 (0) Comm time (%) = 0.0013845 (0.798547) Outpt time (%) = 0.00111461 (0.64288) Other time (%) = 0.01232 (7.10592) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1874 0 -2212.8273 -2212.8273 -3538.3821 3538.3821 1875 2.829222e-16 -2212.8273 -2212.8273 -3538.3821 3538.3821 Loop time of 0.00213885 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82728326 -2212.82728326 -2212.82728326 Force two-norm initial, final = 0.0063558 0.0063558 Force max component initial, final = 0.000631226 0.000631226 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192404 (89.9565) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.746851) Outpt time (%) = 0 (0) Other time (%) = 0.000198841 (9.29662) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1650 0 -2212.7682 -2212.7682 -3599.2807 3599.2807 1660 9.268466e-10 -2212.7682 -2212.7682 -3599.2805 3599.2805 1670 1.0161993e-08 -2212.7682 -2212.7682 -3599.2783 3599.2783 1680 4.9610717e-08 -2212.7682 -2212.7682 -3599.2685 3599.2685 1690 2.664343e-07 -2212.7684 -2212.7684 -3599.2149 3599.2149 1700 1.0441327e-06 -2212.7689 -2212.7689 -3599.019 3599.019 1710 4.8784226e-06 -2212.7712 -2212.7712 -3598.0171 3598.0171 1720 1.6377278e-05 -2212.7783 -2212.7783 -3594.4355 3594.4355 1730 4.0569306e-05 -2212.795 -2212.795 -3576.9883 3576.9883 1740 3.2216852e-05 -2212.8058 -2212.8058 -3557.8087 3557.8087 1750 3.4142643e-05 -2212.8187 -2212.8187 -3535.0805 3535.0805 1760 9.7225873e-06 -2212.8248 -2212.8248 -3534.8424 3534.8424 1770 1.3829235e-06 -2212.8257 -2212.8257 -3532.4685 3532.4685 1780 1.6660152e-06 -2212.8263 -2212.8263 -3536.2211 3536.2211 1790 2.3469332e-07 -2212.8269 -2212.8269 -3539.3831 3539.3831 1800 5.409558e-08 -2212.827 -2212.827 -3539.2313 3539.2313 1810 2.0818443e-07 -2212.8271 -2212.8271 -3539.2075 3539.2075 1820 3.9870602e-07 -2212.8272 -2212.8272 -3538.7326 3538.7326 1830 5.808441e-09 -2212.8273 -2212.8273 -3538.7284 3538.7284 1832 9.2827974e-09 -2212.8273 -2212.8273 -3538.7293 3538.7293 Loop time of 0.180799 on 1 procs for 182 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.76821418 -2212.82725412 -2212.82725501 Force two-norm initial, final = 1.0359 0.00869468 Force max component initial, final = 0.212886 0.000758994 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 182 182 Pair time (%) = 0.165241 (91.3949) Neigh time (%) = 0 (0) Comm time (%) = 0.00146151 (0.808359) Outpt time (%) = 0.00118852 (0.657369) Other time (%) = 0.012908 (7.13941) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1832 0 -2212.8273 -2212.8273 -3538.7293 3538.7293 1833 5.384049e-16 -2212.8273 -2212.8273 -3538.7293 3538.7293 Loop time of 0.002141 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82725501 -2212.82725501 -2212.82725501 Force two-norm initial, final = 0.00876782 0.00876782 Force max component initial, final = 0.000851202 0.000851202 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00191808 (89.588) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.846325) Outpt time (%) = 0 (0) Other time (%) = 0.000204802 (9.5657) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1700 0 -2212.7706 -2212.7706 -3600.945 3600.945 1710 9.6223116e-10 -2212.7706 -2212.7706 -3600.9448 3600.9448 1720 1.0549943e-08 -2212.7706 -2212.7706 -3600.9425 3600.9425 1730 5.1504273e-08 -2212.7707 -2212.7707 -3600.9326 3600.9326 1740 2.7659629e-07 -2212.7708 -2212.7708 -3600.878 3600.878 1750 1.0837588e-06 -2212.7713 -2212.7713 -3600.6789 3600.6789 1760 5.0608001e-06 -2212.7737 -2212.7737 -3599.661 3599.661 1770 1.6923524e-05 -2212.7811 -2212.7811 -3596.0336 3596.0336 1780 4.1687166e-05 -2212.7987 -2212.7987 -3578.6059 3578.6059 1790 3.498365e-05 -2212.8105 -2212.8105 -3559.4096 3559.4096 1800 2.9547732e-05 -2212.8205 -2212.8205 -3536.032 3536.032 1810 7.0445297e-06 -2212.8246 -2212.8246 -3534.1361 3534.1361 1820 1.4793092e-06 -2212.8254 -2212.8254 -3536.9234 3536.9234 1830 2.3176094e-06 -2212.8263 -2212.8263 -3538.2009 3538.2009 1840 7.8037763e-07 -2212.8269 -2212.8269 -3541.9674 3541.9674 1850 6.5791673e-08 -2212.827 -2212.827 -3541.4509 3541.4509 1860 2.9677171e-07 -2212.8271 -2212.8271 -3540.0795 3540.0795 1870 5.1967199e-07 -2212.8273 -2212.8273 -3538.2186 3538.2186 1880 1.9779332e-08 -2212.8273 -2212.8273 -3538.4209 3538.4209 1881 2.3711328e-08 -2212.8273 -2212.8273 -3538.4474 3538.4474 Loop time of 0.179999 on 1 procs for 181 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.77062683 -2212.82728974 -2212.82729154 Force two-norm initial, final = 1.05549 0.00576726 Force max component initial, final = 0.270855 0.000718279 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.164816 (91.5652) Neigh time (%) = 0 (0) Comm time (%) = 0.00146151 (0.811953) Outpt time (%) = 0.00119638 (0.664662) Other time (%) = 0.0125246 (6.95816) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1881 0 -2212.8273 -2212.8273 -3538.4474 3538.4474 1882 2.3601867e-16 -2212.8273 -2212.8273 -3538.4474 3538.4474 Loop time of 0.00213408 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82729154 -2212.82729154 -2212.82729154 Force two-norm initial, final = 0.00580511 0.00580511 Force max component initial, final = 0.000718187 0.000718187 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192213 (90.0681) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.759692) Outpt time (%) = 0 (0) Other time (%) = 0.000195742 (9.17216) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1750 0 -2212.7706 -2212.7706 -3600.9604 3600.9604 1760 9.5814417e-10 -2212.7706 -2212.7706 -3600.9602 3600.9602 1770 1.0505133e-08 -2212.7706 -2212.7706 -3600.9579 3600.9579 1780 5.1285519e-08 -2212.7706 -2212.7706 -3600.948 3600.948 1790 2.754216e-07 -2212.7708 -2212.7708 -3600.8934 3600.8934 1800 1.0791585e-06 -2212.7713 -2212.7713 -3600.6941 3600.6941 1810 5.0393454e-06 -2212.7737 -2212.7737 -3599.6754 3599.6754 1820 1.6851779e-05 -2212.781 -2212.781 -3596.0458 3596.0458 1830 4.1480935e-05 -2212.7986 -2212.7986 -3578.6184 3578.6184 1840 3.5128842e-05 -2212.8104 -2212.8104 -3559.4279 3559.4279 1850 2.9742858e-05 -2212.8205 -2212.8205 -3536.0368 3536.0368 1860 1.0204024e-05 -2212.8222 -2212.8222 -3529.728 3529.728 1870 2.6810371e-06 -2212.8258 -2212.8258 -3533.1858 3533.1858 1880 2.2305278e-06 -2212.8266 -2212.8266 -3534.3792 3534.3792 1890 2.4498664e-07 -2212.8271 -2212.8271 -3537.7385 3537.7385 1900 3.8943798e-08 -2212.8272 -2212.8272 -3538.3822 3538.3822 1910 1.087021e-07 -2212.8273 -2212.8273 -3538.6225 3538.6225 1920 1.3894718e-08 -2212.8273 -2212.8273 -3538.6645 3538.6645 1922 2.2626357e-08 -2212.8273 -2212.8273 -3538.6747 3538.6747 Loop time of 0.176228 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.77061246 -2212.82727708 -2212.82727882 Force two-norm initial, final = 1.05325 0.00808727 Force max component initial, final = 0.270605 0.000828594 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.160968 (91.3409) Neigh time (%) = 0 (0) Comm time (%) = 0.00140142 (0.795233) Outpt time (%) = 0.00120258 (0.682402) Other time (%) = 0.0126557 (7.18145) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1922 0 -2212.8273 -2212.8273 -3538.6747 3538.6747 1923 4.8847728e-16 -2212.8273 -2212.8273 -3538.6747 3538.6747 Loop time of 0.00220394 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82727882 -2212.82727882 -2212.82727882 Force two-norm initial, final = 0.0083514 0.0083514 Force max component initial, final = 0.00132471 0.00132471 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198698 (90.1558) Neigh time (%) = 0 (0) Comm time (%) = 1.38283e-05 (0.627434) Outpt time (%) = 0 (0) Other time (%) = 0.000203133 (9.21679) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1800 0 -2212.7707 -2212.7707 -3600.9416 3600.9416 1810 9.5571092e-10 -2212.7707 -2212.7707 -3600.9414 3600.9414 1820 1.0478455e-08 -2212.7707 -2212.7707 -3600.9391 3600.9391 1830 5.1155296e-08 -2212.7707 -2212.7707 -3600.9292 3600.9292 1840 2.7472257e-07 -2212.7708 -2212.7708 -3600.8746 3600.8746 1850 1.0764276e-06 -2212.7713 -2212.7713 -3600.6752 3600.6752 1860 5.026701e-06 -2212.7738 -2212.7738 -3599.6563 3599.6563 1870 1.6811378e-05 -2212.7811 -2212.7811 -3596.0256 3596.0256 1880 4.1356085e-05 -2212.7986 -2212.7986 -3578.5929 3578.5929 1890 3.518526e-05 -2212.8104 -2212.8104 -3559.406 3559.406 1900 2.976366e-05 -2212.8205 -2212.8205 -3536.0033 3536.0033 1910 7.056684e-06 -2212.8246 -2212.8246 -3534.1124 3534.1124 1920 1.4946329e-06 -2212.8254 -2212.8254 -3536.9156 3536.9156 1930 2.3349642e-06 -2212.8263 -2212.8263 -3538.19 3538.19 1940 7.9039489e-07 -2212.8269 -2212.8269 -3541.9617 3541.9617 1950 6.6535629e-08 -2212.827 -2212.827 -3541.4448 3541.4448 1960 2.9649382e-07 -2212.8271 -2212.8271 -3540.0757 3540.0757 1970 5.1705282e-07 -2212.8273 -2212.8273 -3538.1792 3538.1792 1980 2.0184438e-08 -2212.8273 -2212.8273 -3538.4317 3538.4317 1981 2.4190712e-08 -2212.8273 -2212.8273 -3538.4559 3538.4559 Loop time of 0.186222 on 1 procs for 181 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.77067863 -2212.82728967 -2212.82729148 Force two-norm initial, final = 1.05191 0.00572582 Force max component initial, final = 0.270509 0.000710928 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.170076 (91.3299) Neigh time (%) = 0 (0) Comm time (%) = 0.00153089 (0.822075) Outpt time (%) = 0.00118828 (0.638097) Other time (%) = 0.0134265 (7.20996) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1981 0 -2212.8273 -2212.8273 -3538.4559 3538.4559 1982 2.3316598e-16 -2212.8273 -2212.8273 -3538.4559 3538.4559 Loop time of 0.00213885 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82729148 -2212.82729148 -2212.82729148 Force two-norm initial, final = 0.00576992 0.00576992 Force max component initial, final = 0.000710828 0.000710828 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192308 (89.9119) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.746851) Outpt time (%) = 0 (0) Other time (%) = 0.000199795 (9.34121) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1850 0 -2212.7712 -2212.7712 -3600.7788 3600.7788 1860 9.6004416e-10 -2212.7712 -2212.7712 -3600.7786 3600.7786 1870 1.0525966e-08 -2212.7712 -2212.7712 -3600.7764 3600.7764 1880 5.1387302e-08 -2212.7712 -2212.7712 -3600.7664 3600.7664 1890 2.7596958e-07 -2212.7714 -2212.7714 -3600.712 3600.712 1900 1.0813419e-06 -2212.7719 -2212.7719 -3600.5131 3600.5131 1910 5.0500383e-06 -2212.7743 -2212.7743 -3599.4963 3599.4963 1920 1.6898172e-05 -2212.7816 -2212.7816 -3595.8701 3595.8701 1930 4.1564294e-05 -2212.7992 -2212.7992 -3578.4118 3578.4118 1940 3.472143e-05 -2212.8109 -2212.8109 -3559.2126 3559.2126 1950 2.8964331e-05 -2212.8206 -2212.8206 -3535.7979 3535.7979 1960 7.0904798e-06 -2212.8246 -2212.8246 -3534.0695 3534.0695 1970 1.5038271e-06 -2212.8255 -2212.8255 -3536.8473 3536.8473 1980 2.2908421e-06 -2212.8263 -2212.8263 -3538.1442 3538.1442 1990 8.0326403e-07 -2212.8269 -2212.8269 -3541.9252 3541.9252 2000 6.8185446e-08 -2212.827 -2212.827 -3541.4147 3541.4147 2010 2.899748e-07 -2212.8271 -2212.8271 -3540.0514 3540.0514 2020 5.0998536e-07 -2212.8272 -2212.8272 -3538.0818 3538.0818 2030 2.2838113e-08 -2212.8273 -2212.8273 -3538.4589 3538.4589 2031 2.7299721e-08 -2212.8273 -2212.8273 -3538.4762 3538.4762 Loop time of 0.180184 on 1 procs for 181 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.77119901 -2212.8272894 -2212.82729137 Force two-norm initial, final = 1.05429 0.00563712 Force max component initial, final = 0.271423 0.000667941 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.164623 (91.364) Neigh time (%) = 0 (0) Comm time (%) = 0.00144482 (0.801856) Outpt time (%) = 0.00119781 (0.664773) Other time (%) = 0.012918 (7.16933) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2031 0 -2212.8273 -2212.8273 -3538.4762 3538.4762 2032 2.2685488e-16 -2212.8273 -2212.8273 -3538.4762 3538.4762 Loop time of 0.0021379 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82729137 -2212.82729137 -2212.82729137 Force two-norm initial, final = 0.00569129 0.00569129 Force max component initial, final = 0.000667831 0.000667831 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00191998 (89.8071) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.747184) Outpt time (%) = 0 (0) Other time (%) = 0.000201941 (9.44575) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1900 0 -2212.7717 -2212.7717 -3600.5952 3600.5952 1910 9.478401e-10 -2212.7717 -2212.7717 -3600.595 3600.595 1920 1.0392157e-08 -2212.7717 -2212.7717 -3600.5927 3600.5927 1930 5.0733975e-08 -2212.7717 -2212.7717 -3600.5827 3600.5827 1940 2.7245872e-07 -2212.7719 -2212.7719 -3600.5278 3600.5278 1950 1.0675529e-06 -2212.7724 -2212.7724 -3600.3274 3600.3274 1960 4.9848255e-06 -2212.7747 -2212.7747 -3599.3031 3599.3031 1970 1.6667175e-05 -2212.782 -2212.782 -3595.6512 3595.6512 1980 4.0669937e-05 -2212.7993 -2212.7993 -3578.1166 3578.1166 1990 3.5205111e-05 -2212.8111 -2212.8111 -3558.9549 3558.9549 2000 2.9282287e-05 -2212.8209 -2212.8209 -3535.4486 3535.4486 2010 7.0855024e-06 -2212.8246 -2212.8246 -3533.803 3533.803 2020 1.5192634e-06 -2212.8255 -2212.8255 -3536.6159 3536.6159 2030 2.3187283e-06 -2212.8264 -2212.8264 -3537.9453 3537.9453 2040 2.2113308e-07 -2212.8269 -2212.8269 -3541.0849 3541.0849 2050 2.9852832e-07 -2212.827 -2212.827 -3540.7432 3540.7432 2060 1.4152327e-07 -2212.8272 -2212.8272 -3539.8144 3539.8144 2070 3.5216349e-08 -2212.8272 -2212.8272 -3539.6709 3539.6709 2080 1.1674964e-07 -2212.8272 -2212.8272 -3539.607 3539.607 2087 4.1557362e-08 -2212.8273 -2212.8273 -3539.3305 3539.3305 Loop time of 0.185696 on 1 procs for 187 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.77170218 -2212.82725451 -2212.82725718 Force two-norm initial, final = 1.04757 0.00710606 Force max component initial, final = 0.271511 0.000585812 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 187 187 Pair time (%) = 0.16998 (91.5367) Neigh time (%) = 0 (0) Comm time (%) = 0.00150466 (0.810282) Outpt time (%) = 0.00119543 (0.643757) Other time (%) = 0.013016 (7.0093) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2087 0 -2212.8273 -2212.8273 -3539.3305 3539.3305 2088 3.71263e-16 -2212.8273 -2212.8273 -3539.3305 3539.3305 Loop time of 0.00214219 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82725718 -2212.82725718 -2212.82725718 Force two-norm initial, final = 0.00728078 0.00728078 Force max component initial, final = 0.000741364 0.000741364 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192499 (89.8609) Neigh time (%) = 0 (0) Comm time (%) = 1.40667e-05 (0.65665) Outpt time (%) = 0 (0) Other time (%) = 0.000203133 (9.48247) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1700 0 -2213.3089 -2213.3089 -3383.7152 3383.7152 1710 1.2706107e-10 -2213.3089 -2213.3089 -3383.7152 3383.7152 1720 1.3931188e-09 -2213.3089 -2213.3089 -3383.7154 3383.7154 1730 6.8015677e-09 -2213.3089 -2213.3089 -3383.7165 3383.7165 1740 3.6537919e-08 -2213.3089 -2213.3089 -3383.722 3383.722 1750 1.4335741e-07 -2213.309 -2213.309 -3383.7421 3383.7421 1760 6.7346641e-07 -2213.3093 -2213.3093 -3383.8412 3383.8412 1770 2.3197646e-06 -2213.3103 -2213.3103 -3384.149 3384.149 1780 7.069277e-06 -2213.3133 -2213.3133 -3384.9252 3384.9252 1790 1.2648725e-05 -2213.3184 -2213.3184 -3384.2334 3384.2334 1800 2.7057569e-05 -2213.3306 -2213.3306 -3383.7139 3383.7139 1810 1.1923999e-06 -2213.3352 -2213.3352 -3383.8118 3383.8118 1820 4.1259263e-07 -2213.3355 -2213.3355 -3383.8868 3383.8868 1830 1.2556148e-06 -2213.3361 -2213.3361 -3383.6101 3383.6101 1840 3.8549982e-08 -2213.3369 -2213.3369 -3383.2553 3383.2553 1850 3.8227485e-08 -2213.337 -2213.337 -3383.3721 3383.3721 1860 2.6570168e-07 -2213.3372 -2213.3372 -3383.3739 3383.3739 1870 4.5683563e-09 -2213.3373 -2213.3373 -3383.3274 3383.3274 1880 4.2561936e-09 -2213.3374 -2213.3374 -3383.4072 3383.4072 1882 6.2661024e-09 -2213.3374 -2213.3374 -3383.4038 3383.4038 Loop time of 0.178704 on 1 procs for 182 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30891385 -2213.33735954 -2213.33736001 Force two-norm initial, final = 0.38355 0.00653489 Force max component initial, final = 0.0324658 0.000508704 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 182 182 Pair time (%) = 0.161676 (90.4712) Neigh time (%) = 0 (0) Comm time (%) = 0.00151253 (0.846387) Outpt time (%) = 0.00117302 (0.656403) Other time (%) = 0.0143428 (8.026) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1882 0 -2213.3374 -2213.3374 -3383.4038 3383.4038 1883 2.9909052e-16 -2213.3374 -2213.3374 -3383.4038 3383.4038 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 = -2213.33736001 -2213.33736001 -2213.33736001 Force two-norm initial, final = 0.00653489 0.00653489 Force max component initial, final = 0.000508704 0.000508704 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00190401 (89.4389) Neigh time (%) = 0 (0) Comm time (%) = 1.40667e-05 (0.660768) Outpt time (%) = 0 (0) Other time (%) = 0.000210762 (9.90032) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1750 0 -2211.2102 -2211.2102 -3399.6586 3399.6586 1760 3.1471918e-08 -2211.2102 -2211.2102 -3399.6612 3399.6612 1770 3.4505774e-07 -2211.2104 -2211.2104 -3399.6891 3399.6891 1780 1.6845319e-06 -2211.2112 -2211.2112 -3399.8103 3399.8103 1790 9.0455856e-06 -2211.2157 -2211.2157 -3400.4736 3400.4736 1800 3.5435482e-05 -2211.2319 -2211.2319 -3402.8684 3402.8684 1810 0.00016525649 -2211.311 -2211.311 -3414.48 3414.48 1820 0.00055580036 -2211.5497 -2211.5497 -3448.3894 3448.3894 1830 0.0015841508 -2212.1917 -2212.1917 -3517.4228 3517.4228 1840 0.0022288654 -2212.9593 -2212.9593 -3404.7363 3404.7363 1850 3.4488788e-05 -2213.183 -2213.183 -3349.5867 3349.5867 1860 0.00018824307 -2213.2895 -2213.2895 -3412.431 3412.431 1870 1.4052632e-05 -2213.3039 -2213.3039 -3395.2493 3395.2493 1880 1.4914447e-07 -2213.3304 -2213.3304 -3397.1143 3397.1143 1890 4.8850734e-06 -2213.3337 -2213.3337 -3374.4081 3374.4081 1900 7.9084605e-08 -2213.3351 -2213.3351 -3378.7939 3378.7939 1910 1.247808e-06 -2213.336 -2213.336 -3385.5849 3385.5849 1920 2.8527285e-07 -2213.3366 -2213.3366 -3385.3427 3385.3427 1930 6.0812862e-08 -2213.3369 -2213.3369 -3382.2186 3382.2186 1940 1.7327896e-07 -2213.337 -2213.337 -3384.2483 3384.2483 1950 4.7909857e-07 -2213.3372 -2213.3372 -3384.6403 3384.6403 Loop time of 0.199142 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2211.2101911 -2213.33718665 -2213.33722474 Force two-norm initial, final = 6.03639 0.061773 Force max component initial, final = 2.67231 0.00944236 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.180944 (90.862) Neigh time (%) = 0 (0) Comm time (%) = 0.00161529 (0.811123) Outpt time (%) = 0.00132561 (0.665659) Other time (%) = 0.0152566 (7.66119) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.3372 -2213.3372 -3384.6403 3384.6403 1960 3.2972435e-12 -2213.3372 -2213.3372 -3384.6403 3384.6403 1970 3.615023e-11 -2213.3372 -2213.3372 -3384.6401 3384.6401 1980 1.764659e-10 -2213.3372 -2213.3372 -3384.6391 3384.6391 1990 9.4712759e-10 -2213.3372 -2213.3372 -3384.6339 3384.6339 2000 3.7037212e-09 -2213.3372 -2213.3372 -3384.615 3384.615 2010 1.710576e-08 -2213.3372 -2213.3372 -3384.5198 3384.5198 2020 5.5176806e-08 -2213.3373 -2213.3373 -3384.2017 3384.2017 2030 8.7499108e-08 -2213.3373 -2213.3373 -3383.102 3383.102 2040 6.3357011e-08 -2213.3373 -2213.3373 -3383.4542 3383.4542 2050 1.6495896e-07 -2213.3373 -2213.3373 -3382.5577 3382.5577 2060 7.9809692e-06 -2213.3335 -2213.3335 -3381.8415 3381.8415 2070 0.0059119688 -2209.3708 -2209.3708 -2861.1567 2861.1567 2080 0.0017889387 -2212.4966 -2212.4966 -3326.8133 3326.8133 2090 0.00019956899 -2212.5983 -2212.5983 -3365.3662 3365.3662 2100 0.00064416643 -2212.9015 -2212.9015 -3445.5016 3445.5016 2110 0.0019108302 -2212.6175 -2212.6175 -3466.8038 3466.8038 2120 0.00085852519 -2212.444 -2212.444 -3468.5687 3468.5687 2130 0.00037993012 -2212.6689 -2212.6689 -3483.3141 3483.3141 2140 0.00076127922 -2212.9368 -2212.9368 -3410.6939 3410.6939 2150 0.00066177649 -2211.7504 -2211.7504 -3288.3773 3288.3773 Loop time of 0.200034 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33722474 -2211.58731416 -2211.75036405 Force two-norm initial, final = 0.0617862 4.7723 Force max component initial, final = 0.00937869 1.73912 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.179081 (89.5254) Neigh time (%) = 0.00328374 (1.64159) Comm time (%) = 0.0017395 (0.869604) Outpt time (%) = 0.00131607 (0.657924) Other time (%) = 0.0146134 (7.30546) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 5 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1800 0 -2211.1749 -2211.1749 -3411.4517 3411.4517 1810 3.1159984e-08 -2211.1749 -2211.1749 -3411.4543 3411.4543 1820 3.4163795e-07 -2211.1751 -2211.1751 -3411.4813 3411.4813 1830 1.6678422e-06 -2211.1759 -2211.1759 -3411.5989 3411.5989 1840 8.9561278e-06 -2211.1804 -2211.1804 -3412.2426 3412.2426 1850 3.5087263e-05 -2211.1964 -2211.1964 -3414.5667 3414.5667 1860 0.00016368804 -2211.2748 -2211.2748 -3425.8355 3425.8355 1870 0.00055117532 -2211.5117 -2211.5117 -3458.7507 3458.7507 1880 0.0015829027 -2212.1555 -2212.1555 -3526.153 3526.153 1890 0.0022642017 -2212.9393 -2212.9393 -3411.303 3411.303 1900 3.3443995e-05 -2213.1733 -2213.1733 -3354.1271 3354.1271 1910 0.00019185484 -2213.2815 -2213.2815 -3411.5015 3411.5015 1920 0.00014235555 -2213.299 -2213.299 -3405.5984 3405.5984 1930 6.1091431e-06 -2213.3226 -2213.3226 -3406.5588 3406.5588 1940 2.0940883e-05 -2213.3333 -2213.3333 -3378.7908 3378.7908 1950 2.2200858e-06 -2213.335 -2213.335 -3376.0625 3376.0625 1960 8.3955132e-07 -2213.3363 -2213.3363 -3388.132 3388.132 1970 1.3334422e-07 -2213.3365 -2213.3365 -3381.3756 3381.3756 1980 5.3646257e-07 -2213.3368 -2213.3368 -3384.4266 3384.4266 1990 8.5968723e-07 -2213.3372 -2213.3372 -3385.829 3385.829 2000 5.844129e-09 -2213.3373 -2213.3373 -3383.889 3383.889 Loop time of 0.200839 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2211.17491702 -2213.3372793 -2213.33728089 Force two-norm initial, final = 6.0064 0.0271014 Force max component initial, final = 2.6823 0.0028849 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.181012 (90.1281) Neigh time (%) = 0 (0) Comm time (%) = 0.00172138 (0.857095) Outpt time (%) = 0.00141191 (0.703008) Other time (%) = 0.0166934 (8.31181) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.3373 -2213.3373 -3383.889 3383.889 2010 6.3554141e-13 -2213.3373 -2213.3373 -3383.889 3383.889 2020 6.9679657e-12 -2213.3373 -2213.3373 -3383.8889 3383.8889 2030 3.4014096e-11 -2213.3373 -2213.3373 -3383.8886 3383.8886 2040 1.8257799e-10 -2213.3373 -2213.3373 -3383.8867 3383.8867 2050 7.1402183e-10 -2213.3373 -2213.3373 -3383.8798 3383.8798 2060 3.3033943e-09 -2213.3373 -2213.3373 -3383.8451 3383.8451 2070 1.0652189e-08 -2213.3373 -2213.3373 -3383.7304 3383.7304 2080 2.2854824e-08 -2213.3373 -2213.3373 -3383.3425 3383.3425 2090 4.6292952e-08 -2213.3373 -2213.3373 -3383.4445 3383.4445 2100 1.6671699e-07 -2213.3373 -2213.3373 -3383.3961 3383.3961 2110 7.7605885e-06 -2213.3329 -2213.3329 -3384.4908 3384.4908 2120 0.0052172721 -2211.9693 -2211.9693 -3324.9549 3324.9549 2130 0.013150478 -2207.8894 -2207.8894 -2351.7777 2351.7777 2140 0.025006218 -2200.1656 -2200.1656 3509.275 -3509.275 2150 0.065297983 -2188.8254 -2188.8254 7821.932 -7821.932 2160 0.059907339 -2182.2146 -2182.2146 11144.055 -11144.055 2170 0.23102597 -2139.2324 -2139.2324 22538.783 -22538.783 2180 0.49525674 -2116.0685 -2116.0685 28886.391 -28886.391 2190 0.62940519 -2136.0155 -2136.0155 28697.328 -28697.328 2200 0.56708565 -2137.157 -2137.157 29299.763 -29299.763 Loop time of 0.24141 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33728089 -2137.31676047 -2137.15696881 Force two-norm initial, final = 0.0271261 25.1686 Force max component initial, final = 0.00282457 8.21318 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.209952 (86.9692) Neigh time (%) = 0.013392 (5.5474) Comm time (%) = 0.00221658 (0.91818) Outpt time (%) = 0.00144863 (0.600071) Other time (%) = 0.0144005 (5.96516) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1034 ave 1034 max 1034 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 13822 ave 13822 max 13822 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 13822 Ave neighs/atom = 27.0489 Neighbor list builds = 20 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1750 0 -2213.2883 -2213.2883 -3382.3726 3382.3726 1760 1.0250542e-10 -2213.2883 -2213.2883 -3382.3727 3382.3727 1770 1.1239025e-09 -2213.2883 -2213.2883 -3382.3733 3382.3733 1780 5.4875058e-09 -2213.2883 -2213.2883 -3382.3761 3382.3761 1790 2.9488813e-08 -2213.2883 -2213.2883 -3382.391 3382.391 1800 1.1583481e-07 -2213.2884 -2213.2884 -3382.4453 3382.4453 1810 5.4761912e-07 -2213.2886 -2213.2886 -3382.7172 3382.7172 1820 1.9255829e-06 -2213.2895 -2213.2895 -3383.6143 3383.6143 1830 6.6031397e-06 -2213.2925 -2213.2925 -3386.8479 3386.8479 1840 1.2528738e-05 -2213.298 -2213.298 -3388.1799 3388.1799 1850 4.6437376e-05 -2213.3178 -2213.3178 -3385.2228 3385.2228 1860 1.1511162e-06 -2213.3352 -2213.3352 -3384.0591 3384.0591 1870 5.2256956e-07 -2213.3358 -2213.3358 -3384.2902 3384.2902 1880 1.5117713e-06 -2213.3367 -2213.3367 -3383.9372 3383.9372 1890 7.3674478e-08 -2213.3372 -2213.3372 -3383.4417 3383.4417 1900 1.7053342e-08 -2213.3372 -2213.3372 -3383.4874 3383.4874 1910 1.2101115e-07 -2213.3373 -2213.3373 -3383.5077 3383.5077 1913 1.6106198e-07 -2213.3373 -2213.3373 -3383.4477 3383.4477 Loop time of 0.163834 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28829889 -2213.33727969 -2213.33729325 Force two-norm initial, final = 0.3445 0.00986619 Force max component initial, final = 0.0373017 0.00075802 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.149939 (91.5191) Neigh time (%) = 0 (0) Comm time (%) = 0.00133562 (0.815229) Outpt time (%) = 0.00105548 (0.644237) Other time (%) = 0.0115035 (7.02142) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1913 0 -2213.3373 -2213.3373 -3383.4477 3383.4477 1920 4.9980121e-14 -2213.3373 -2213.3373 -3383.4477 3383.4477 1930 6.9019369e-13 -2213.3373 -2213.3373 -3383.4477 3383.4477 1940 4.1289162e-12 -2213.3373 -2213.3373 -3383.4477 3383.4477 1950 2.0871092e-11 -2213.3373 -2213.3373 -3383.4477 3383.4477 1960 9.1911997e-11 -2213.3373 -2213.3373 -3383.4476 3383.4476 1970 4.0745148e-10 -2213.3373 -2213.3373 -3383.4474 3383.4474 1980 1.6985653e-09 -2213.3373 -2213.3373 -3383.4463 3383.4463 1990 7.3121014e-09 -2213.3373 -2213.3373 -3383.4421 3383.4421 2000 2.9818771e-08 -2213.3373 -2213.3373 -3383.4336 3383.4336 2010 1.461947e-07 -2213.3372 -2213.3372 -3383.4278 3383.4278 2020 2.0753084e-09 -2213.3369 -2213.3369 -3383.4291 3383.4291 2030 2.8662801e-07 -2213.337 -2213.337 -3383.4203 3383.4203 2040 3.4305366e-10 -2213.3371 -2213.3371 -3383.3689 3383.3689 2050 5.2397492e-08 -2213.3371 -2213.3371 -3383.3642 3383.3642 2060 3.4244012e-07 -2213.337 -2213.337 -3383.3546 3383.3546 2070 8.0559004e-10 -2213.3369 -2213.3369 -3383.3998 3383.3998 2080 7.635885e-08 -2213.3369 -2213.3369 -3383.4276 3383.4276 2090 5.8918109e-07 -2213.3366 -2213.3366 -3383.477 3383.477 2100 7.4131071e-08 -2213.3346 -2213.3346 -3383.7014 3383.7014 2110 1.5412799e-07 -2213.335 -2213.335 -3383.6781 3383.6781 2113 2.3432111e-07 -2213.335 -2213.335 -3383.6926 3383.6926 Loop time of 0.200194 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33729325 -2213.33499116 -2213.33497378 Force two-norm initial, final = 0.0118981 0.0658867 Force max component initial, final = 0.000940733 0.00568605 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.182612 (91.2176) Neigh time (%) = 0 (0) Comm time (%) = 0.00159001 (0.794236) Outpt time (%) = 0.00139475 (0.696698) Other time (%) = 0.0145972 (7.29151) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1800 0 -2211.2073 -2211.2073 -3402.3071 3402.3071 1810 3.1420875e-08 -2211.2073 -2211.2073 -3402.3098 3402.3098 1820 3.444981e-07 -2211.2075 -2211.2075 -3402.3376 3402.3376 1830 1.6817997e-06 -2211.2083 -2211.2083 -3402.4589 3402.4589 1840 9.0309118e-06 -2211.2128 -2211.2128 -3403.1226 3403.1226 1850 3.5377933e-05 -2211.229 -2211.229 -3405.5191 3405.5191 1860 0.00016498671 -2211.3079 -2211.3079 -3417.1421 3417.1421 1870 0.00055483655 -2211.5463 -2211.5463 -3451.1365 3451.1365 1880 0.0015795673 -2212.187 -2212.187 -3521.9766 3521.9766 1890 0.0022365603 -2212.9578 -2212.9578 -3408.0357 3408.0357 1900 3.4010098e-05 -2213.1802 -2213.1802 -3351.9591 3351.9591 1910 0.00018978061 -2213.2872 -2213.2872 -3411.3351 3411.3351 1920 0.00013556925 -2213.2979 -2213.2979 -3411.2056 3411.2056 1930 5.7783098e-06 -2213.3232 -2213.3232 -3404.6778 3404.6778 1940 2.012819e-05 -2213.3336 -2213.3336 -3379.7849 3379.7849 1950 2.1691487e-06 -2213.3353 -2213.3353 -3376.1562 3376.1562 1960 7.7110257e-07 -2213.3364 -2213.3364 -3387.9018 3387.9018 1970 1.2323534e-07 -2213.3367 -2213.3367 -3381.4395 3381.4395 1980 4.5996755e-07 -2213.3369 -2213.3369 -3384.4947 3384.4947 1990 6.0554444e-07 -2213.3372 -2213.3372 -3386.9012 3386.9012 2000 1.2236253e-08 -2213.3373 -2213.3373 -3384.6583 3384.6583 Loop time of 0.197561 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2211.20730662 -2213.33730275 -2213.33730603 Force two-norm initial, final = 6.03149 0.0347296 Force max component initial, final = 2.68376 0.00472475 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.179916 (91.0686) Neigh time (%) = 0 (0) Comm time (%) = 0.00162029 (0.820148) Outpt time (%) = 0.00132704 (0.67171) Other time (%) = 0.0146976 (7.4395) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.3373 -2213.3373 -3384.6583 3384.6583 2010 1.0421313e-12 -2213.3373 -2213.3373 -3384.6583 3384.6583 2020 1.1425725e-11 -2213.3373 -2213.3373 -3384.6581 3384.6581 2030 5.5774981e-11 -2213.3373 -2213.3373 -3384.6572 3384.6572 2040 2.9937745e-10 -2213.3373 -2213.3373 -3384.6522 3384.6522 2050 1.171038e-09 -2213.3373 -2213.3373 -3384.6341 3384.6341 2060 5.4164328e-09 -2213.3373 -2213.3373 -3384.5433 3384.5433 2070 1.7587505e-08 -2213.3373 -2213.3373 -3384.2389 3384.2389 2080 3.280177e-08 -2213.3373 -2213.3373 -3383.1603 3383.1603 2089 3.6084164e-08 -2213.3373 -2213.3373 -3383.224 3383.224 Loop time of 0.088428 on 1 procs for 89 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33730603 -2213.3373398 -2213.33734207 Force two-norm initial, final = 0.0347358 0.00925315 Force max component initial, final = 0.00473262 0.0028707 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 89 89 Pair time (%) = 0.0801225 (90.6076) Neigh time (%) = 0 (0) Comm time (%) = 0.000730991 (0.826651) Outpt time (%) = 0.000532866 (0.602598) Other time (%) = 0.00704169 (7.96319) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1850 0 -2211.1902 -2211.1902 -3405.358 3405.358 1860 3.1494742e-08 -2211.1902 -2211.1902 -3405.3607 3405.3607 1870 3.4530793e-07 -2211.1904 -2211.1904 -3405.3885 3405.3885 1880 1.6857518e-06 -2211.1912 -2211.1912 -3405.5098 3405.5098 1890 9.0521e-06 -2211.1957 -2211.1957 -3406.1734 3406.1734 1900 3.5460342e-05 -2211.2119 -2211.2119 -3408.5695 3408.5695 1910 0.00016535968 -2211.291 -2211.291 -3420.1901 3420.1901 1920 0.00055593745 -2211.5299 -2211.5299 -3454.1728 3454.1728 1930 0.0015822647 -2212.1722 -2212.1722 -3525.3264 3525.3264 1940 0.0022504758 -2212.9485 -2212.9485 -3410.595 3410.595 1950 3.3665146e-05 -2213.1755 -2213.1755 -3353.4648 3353.4648 1960 0.00019139456 -2213.2834 -2213.2834 -3411.2289 3411.2289 1970 0.00014040704 -2213.2986 -2213.2986 -3407.1973 3407.1973 1980 5.9190157e-06 -2213.3229 -2213.3229 -3405.9232 3405.9232 1990 2.0503584e-05 -2213.3334 -2213.3334 -3379.0724 3379.0724 2000 2.1924915e-06 -2213.3351 -2213.3351 -3376.148 3376.148 2010 7.9748123e-07 -2213.3363 -2213.3363 -3388.0124 3388.0124 2020 1.2871776e-07 -2213.3366 -2213.3366 -3381.4256 3381.4256 2030 5.0697718e-07 -2213.3369 -2213.3369 -3384.4847 3384.4847 2040 7.4790946e-07 -2213.3372 -2213.3372 -3386.5472 3386.5472 2050 5.8647383e-08 -2213.3373 -2213.3373 -3383.133 3383.133 Loop time of 0.195968 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2211.19015052 -2213.33728926 -2213.33729619 Force two-norm initial, final = 6.03858 0.0266437 Force max component initial, final = 2.70136 0.00346126 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.178126 (90.8956) Neigh time (%) = 0 (0) Comm time (%) = 0.0015986 (0.815743) Outpt time (%) = 0.00131869 (0.672912) Other time (%) = 0.0149245 (7.61579) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.3373 -2213.3373 -3383.133 3383.133 2060 6.1313504e-13 -2213.3373 -2213.3373 -3383.133 3383.133 2070 6.7223098e-12 -2213.3373 -2213.3373 -3383.1331 3383.1331 2080 3.2815451e-11 -2213.3373 -2213.3373 -3383.1333 3383.1333 2090 1.7615029e-10 -2213.3373 -2213.3373 -3383.1343 3383.1343 2100 6.8915612e-10 -2213.3373 -2213.3373 -3383.1383 3383.1383 2110 3.191195e-09 -2213.3373 -2213.3373 -3383.1579 3383.1579 2120 1.0402393e-08 -2213.3373 -2213.3373 -3383.2237 3383.2237 2130 2.158331e-08 -2213.3373 -2213.3373 -3383.4572 3383.4572 2139 3.3485778e-08 -2213.3373 -2213.3373 -3383.4578 3383.4578 Loop time of 0.0879021 on 1 procs for 89 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33729619 -2213.33732193 -2213.33732417 Force two-norm initial, final = 0.0266437 0.00921751 Force max component initial, final = 0.00346126 0.00100324 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 89 89 Pair time (%) = 0.0799096 (90.9075) Neigh time (%) = 0 (0) Comm time (%) = 0.000760555 (0.86523) Outpt time (%) = 0.000527143 (0.599694) Other time (%) = 0.00670481 (7.62759) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1800 0 -2213.2915 -2213.2915 -3389.687 3389.687 1810 9.033457e-11 -2213.2915 -2213.2915 -3389.6869 3389.6869 1820 9.904702e-10 -2213.2915 -2213.2915 -3389.6864 3389.6864 1830 4.8363178e-09 -2213.2915 -2213.2915 -3389.6843 3389.6843 1840 2.5997945e-08 -2213.2915 -2213.2915 -3389.6724 3389.6724 1850 1.0225265e-07 -2213.2916 -2213.2916 -3389.6291 3389.6291 1860 4.8637087e-07 -2213.2918 -2213.2918 -3389.4136 3389.4136 1870 1.7498672e-06 -2213.2926 -2213.2926 -3388.7233 3388.7233 1880 6.632858e-06 -2213.2956 -2213.2956 -3386.6505 3386.6505 1890 1.5115595e-05 -2213.3021 -2213.3021 -3388.7725 3388.7725 1900 4.3816572e-05 -2213.321 -2213.321 -3385.8241 3385.8241 1910 5.9407449e-07 -2213.3351 -2213.3351 -3384.9614 3384.9614 1920 6.982103e-08 -2213.3367 -2213.3367 -3385.6267 3385.6267 1930 7.9211832e-07 -2213.3371 -2213.3371 -3382.8873 3382.8873 1940 2.1232953e-07 -2213.3372 -2213.3372 -3382.373 3382.373 1950 2.6760762e-08 -2213.3373 -2213.3373 -3384.1203 3384.1203 1960 1.161388e-07 -2213.3373 -2213.3373 -3382.8459 3382.8459 1970 2.6703335e-08 -2213.3374 -2213.3374 -3383.2905 3383.2905 1980 6.4681425e-08 -2213.3374 -2213.3374 -3383.6799 3383.6799 1987 2.5439799e-08 -2213.3374 -2213.3374 -3383.3573 3383.3573 Loop time of 0.185138 on 1 procs for 187 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29151205 -2213.33737562 -2213.33737682 Force two-norm initial, final = 0.323401 0.00558205 Force max component initial, final = 0.057225 0.000559947 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 187 187 Pair time (%) = 0.168504 (91.0154) Neigh time (%) = 0 (0) Comm time (%) = 0.00152946 (0.826116) Outpt time (%) = 0.00119805 (0.647114) Other time (%) = 0.0139065 (7.51141) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1987 0 -2213.3374 -2213.3374 -3383.3573 3383.3573 1988 2.1822981e-16 -2213.3374 -2213.3374 -3383.3573 3383.3573 Loop time of 0.00211215 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737682 -2213.33737682 -2213.33737682 Force two-norm initial, final = 0.00558205 0.00558205 Force max component initial, final = 0.000559947 0.000559947 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00189686 (89.807) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.722429) Outpt time (%) = 0 (0) Other time (%) = 0.000200033 (9.47059) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1850 0 -2211.2413 -2211.2413 -3403.2599 3403.2599 1860 3.0223219e-08 -2211.2413 -2211.2413 -3403.2625 3403.2625 1870 3.3136738e-07 -2211.2415 -2211.2415 -3403.2897 3403.2897 1880 1.6177044e-06 -2211.2423 -2211.2423 -3403.4085 3403.4085 1890 8.686965e-06 -2211.2466 -2211.2466 -3404.0582 3404.0582 1900 3.403359e-05 -2211.2622 -2211.2622 -3406.4047 3406.4047 1910 0.00015879138 -2211.3382 -2211.3382 -3417.8026 3417.8026 1920 0.00053465614 -2211.5682 -2211.5682 -3451.3226 3451.3226 1930 0.0015274443 -2212.1897 -2212.1897 -3523.6846 3523.6846 1940 0.0021769026 -2212.9451 -2212.9451 -3411.0624 3411.0624 1950 3.3353926e-05 -2213.1785 -2213.1785 -3351.8106 3351.8106 1960 0.00018129569 -2213.2817 -2213.2817 -3413.1277 3413.1277 1970 0.00014367383 -2213.3002 -2213.3002 -3407.5642 3407.5642 1980 6.2281903e-06 -2213.3235 -2213.3235 -3408.5155 3408.5155 1990 2.0096823e-05 -2213.3336 -2213.3336 -3378.0694 3378.0694 2000 2.0821156e-06 -2213.3351 -2213.3351 -3375.5356 3375.5356 2010 8.1472444e-07 -2213.3363 -2213.3363 -3388.4816 3388.4816 2020 1.2651243e-07 -2213.3366 -2213.3366 -3381.2392 3381.2392 2030 5.0084349e-07 -2213.3368 -2213.3368 -3384.4655 3384.4655 2040 8.4316076e-07 -2213.3372 -2213.3372 -3385.8409 3385.8409 2050 6.3900384e-09 -2213.3373 -2213.3373 -3384.0473 3384.0473 Loop time of 0.198935 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2211.24132706 -2213.33728496 -2213.33728669 Force two-norm initial, final = 5.91543 0.0282521 Force max component initial, final = 2.68841 0.00290346 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.181115 (91.0422) Neigh time (%) = 0 (0) Comm time (%) = 0.00165486 (0.831861) Outpt time (%) = 0.0013237 (0.665393) Other time (%) = 0.0148416 (7.4605) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.3373 -2213.3373 -3384.0473 3384.0473 2060 6.8939701e-13 -2213.3373 -2213.3373 -3384.0473 3384.0473 2070 7.5584033e-12 -2213.3373 -2213.3373 -3384.0472 3384.0472 2080 3.689577e-11 -2213.3373 -2213.3373 -3384.0467 3384.0467 2090 1.9802948e-10 -2213.3373 -2213.3373 -3384.0441 3384.0441 2100 7.7421798e-10 -2213.3373 -2213.3373 -3384.0347 3384.0347 2110 3.5760835e-09 -2213.3373 -2213.3373 -3383.9872 3383.9872 2120 1.1455004e-08 -2213.3373 -2213.3373 -3383.8301 3383.8301 2130 2.2765038e-08 -2213.3373 -2213.3373 -3383.295 3383.295 2140 4.3301784e-08 -2213.3373 -2213.3373 -3383.4222 3383.4222 2145 6.6768632e-08 -2213.3373 -2213.3373 -3383.5467 3383.5467 Loop time of 0.0939829 on 1 procs for 95 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33728669 -2213.33733437 -2213.33733945 Force two-norm initial, final = 0.0282521 0.00871213 Force max component initial, final = 0.00290346 0.00110242 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 95 95 Pair time (%) = 0.0858381 (91.3337) Neigh time (%) = 0 (0) Comm time (%) = 0.000761747 (0.810517) Outpt time (%) = 0.000602961 (0.641564) Other time (%) = 0.00678015 (7.21423) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1900 0 -2211.2106 -2211.2106 -3412.0692 3412.0692 1910 3.0058481e-08 -2211.2106 -2211.2106 -3412.0718 3412.0718 1920 3.295613e-07 -2211.2108 -2211.2108 -3412.0986 3412.0986 1930 1.6088895e-06 -2211.2115 -2211.2115 -3412.2153 3412.2153 1940 8.6396959e-06 -2211.2158 -2211.2158 -3412.8537 3412.8537 1950 3.3849361e-05 -2211.2313 -2211.2313 -3415.1597 3415.1597 1960 0.00015795467 -2211.3069 -2211.3069 -3426.3606 3426.3606 1970 0.00053211469 -2211.5359 -2211.5359 -3459.3131 3459.3131 1980 0.0015251 -2212.1582 -2212.1582 -3531.3766 3531.3766 1990 0.0022079956 -2212.9261 -2212.9261 -3416.4932 3416.4932 2000 3.2280508e-05 -2213.1691 -2213.1691 -3355.9954 3355.9954 2010 0.0001843815 -2213.2737 -2213.2737 -3412.5119 3412.5119 2020 0.00015328644 -2213.3016 -2213.3016 -3399.8809 3399.8809 2030 6.2356464e-06 -2213.3231 -2213.3231 -3409.5054 3409.5054 2040 2.0303271e-05 -2213.3332 -2213.3332 -3377.1898 3377.1898 2050 2.1188122e-06 -2213.3348 -2213.3348 -3375.8209 3375.8209 2060 8.4384762e-07 -2213.3361 -2213.3361 -3388.5181 3388.5181 2070 1.3497258e-07 -2213.3364 -2213.3364 -3381.321 3381.321 2080 5.9452425e-07 -2213.3367 -2213.3367 -3384.4486 3384.4486 2090 1.1335813e-06 -2213.3372 -2213.3372 -3385.055 3385.055 2100 4.7995467e-09 -2213.3373 -2213.3373 -3383.7166 3383.7166 Loop time of 0.193761 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2211.21055719 -2213.33725609 -2213.33725718 Force two-norm initial, final = 5.89928 0.018358 Force max component initial, final = 2.67498 0.00208655 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.17604 (90.8542) Neigh time (%) = 0 (0) Comm time (%) = 0.00161958 (0.835863) Outpt time (%) = 0.00132489 (0.683776) Other time (%) = 0.0147765 (7.62613) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.3373 -2213.3373 -3383.7166 3383.7166 2110 2.9105932e-13 -2213.3373 -2213.3373 -3383.7166 3383.7166 2120 3.1912523e-12 -2213.3373 -2213.3373 -3383.7166 3383.7166 2130 1.5580877e-11 -2213.3373 -2213.3373 -3383.7163 3383.7163 2140 8.3716634e-11 -2213.3373 -2213.3373 -3383.7151 3383.7151 2150 3.2858904e-10 -2213.3373 -2213.3373 -3383.7107 3383.7107 2160 1.5493945e-09 -2213.3373 -2213.3373 -3383.6888 3383.6888 2170 5.3855428e-09 -2213.3373 -2213.3373 -3383.6175 3383.6175 2180 1.9009385e-08 -2213.3373 -2213.3373 -3383.381 3383.381 2190 5.2989226e-08 -2213.3373 -2213.3373 -3383.4142 3383.4142 2195 9.2438621e-08 -2213.3373 -2213.3373 -3383.4663 3383.4663 Loop time of 0.092854 on 1 procs for 95 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33725718 -2213.33731162 -2213.33731817 Force two-norm initial, final = 0.0183572 0.00958325 Force max component initial, final = 0.00209016 0.00134003 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 95 95 Pair time (%) = 0.0843129 (90.8016) Neigh time (%) = 0 (0) Comm time (%) = 0.000767231 (0.826277) Outpt time (%) = 0.000597239 (0.643202) Other time (%) = 0.00717664 (7.72895) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1850 0 -2212.7581 -2212.7581 -3577.7416 3577.7416 1860 9.1029997e-10 -2212.7581 -2212.7581 -3577.7414 3577.7414 1870 9.9805579e-09 -2212.7581 -2212.7581 -3577.7389 3577.7389 1880 4.872437e-08 -2212.7581 -2212.7581 -3577.7278 3577.7278 1890 2.6166128e-07 -2212.7582 -2212.7582 -3577.6673 3577.6673 1900 1.0251561e-06 -2212.7587 -2212.7587 -3577.4464 3577.4464 1910 4.7849731e-06 -2212.761 -2212.761 -3576.3184 3576.3184 1920 1.5965132e-05 -2212.7679 -2212.7679 -3572.3078 3572.3078 1930 3.8453444e-05 -2212.7846 -2212.7846 -3553.2678 3553.2678 1940 4.0211571e-05 -2212.7989 -2212.7989 -3530.9426 3530.9426 1950 6.2645682e-05 -2212.8181 -2212.8181 -3511.2263 3511.2263 1960 9.3509873e-06 -2212.8246 -2212.8246 -3523.0991 3523.0991 1970 1.1395475e-06 -2212.826 -2212.826 -3525.4116 3525.4116 1980 2.0729436e-06 -2212.8267 -2212.8267 -3528.861 3528.861 1990 3.152268e-07 -2212.827 -2212.827 -3535.0612 3535.0612 2000 4.7615037e-08 -2212.8272 -2212.8272 -3536.0261 3536.0261 2010 1.4024671e-07 -2212.8272 -2212.8272 -3536.4686 3536.4686 2020 1.0567669e-08 -2212.8273 -2212.8273 -3536.9452 3536.9452 2029 3.2888529e-08 -2212.8273 -2212.8273 -3537.1469 3537.1469 Loop time of 0.178432 on 1 procs for 179 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.75805514 -2212.82726968 -2212.82727324 Force two-norm initial, final = 1.02662 0.00582821 Force max component initial, final = 0.263354 0.000714112 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 179 179 Pair time (%) = 0.163257 (91.4953) Neigh time (%) = 0 (0) Comm time (%) = 0.00143981 (0.806924) Outpt time (%) = 0.00112939 (0.632952) Other time (%) = 0.0126059 (7.06482) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2029 0 -2212.8273 -2212.8273 -3537.1469 3537.1469 2030 2.384252e-16 -2212.8273 -2212.8273 -3537.1469 3537.1469 Loop time of 0.00239897 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82727324 -2212.82727324 -2212.82727324 Force two-norm initial, final = 0.00583463 0.00583463 Force max component initial, final = 0.00065167 0.00065167 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00217509 (90.6679) Neigh time (%) = 0 (0) Comm time (%) = 1.64509e-05 (0.685748) Outpt time (%) = 0 (0) Other time (%) = 0.000207424 (8.64639) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 1900 0 -2211.1957 -2211.1957 -3402.3901 3402.3901 1910 3.2188389e-08 -2211.1957 -2211.1957 -3402.3929 3402.3929 1920 3.5291284e-07 -2211.1959 -2211.1959 -3402.4218 3402.4218 1930 1.722874e-06 -2211.1967 -2211.1967 -3402.5478 3402.5478 1940 9.2513012e-06 -2211.2013 -2211.2013 -3403.237 3403.237 1950 3.6239062e-05 -2211.2179 -2211.2179 -3405.726 3405.726 1960 0.000168949 -2211.2987 -2211.2987 -3417.8023 3417.8023 1970 0.00056777532 -2211.5423 -2211.5423 -3453.2114 3453.2114 1980 0.0016128236 -2212.1929 -2212.1929 -3529.1531 3529.1531 1990 0.0022447101 -2212.967 -2212.967 -3407.4248 3407.4248 2000 3.3295271e-05 -2213.1858 -2213.1858 -3354.6467 3354.6467 2010 0.00018842806 -2213.292 -2213.292 -3409.5203 3409.5203 2020 1.7659601e-05 -2213.3129 -2213.3129 -3375.5475 3375.5475 2030 2.8649354e-05 -2213.3298 -2213.3298 -3370.0778 3370.0778 2040 4.3781071e-06 -2213.3323 -2213.3323 -3392.4998 3392.4998 2050 5.6628367e-06 -2213.3351 -2213.3351 -3380.0705 3380.0705 2060 1.3313692e-06 -2213.3369 -2213.3369 -3387.0949 3387.0949 2070 2.3723833e-07 -2213.337 -2213.337 -3381.0125 3381.0125 2080 8.8044766e-07 -2213.3372 -2213.3372 -3379.3107 3379.3107 2090 2.3205236e-08 -2213.3373 -2213.3373 -3384.4299 3384.4299 2100 7.5801066e-08 -2213.3373 -2213.3373 -3383.2098 3383.2098 Loop time of 0.197681 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2211.19565946 -2213.33730679 -2213.33731475 Force two-norm initial, final = 6.10472 0.0102361 Force max component initial, final = 2.84728 0.00180779 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.178943 (90.5211) Neigh time (%) = 0 (0) Comm time (%) = 0.00169587 (0.857883) Outpt time (%) = 0.00133491 (0.675283) Other time (%) = 0.0157073 (7.94576) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.3373 -2213.3373 -3383.2098 3383.2098 2110 9.1402109e-14 -2213.3373 -2213.3373 -3383.2098 3383.2098 2120 1.0021928e-12 -2213.3373 -2213.3373 -3383.2098 3383.2098 2130 4.8939481e-12 -2213.3373 -2213.3373 -3383.21 3383.21 2140 2.6319157e-11 -2213.3373 -2213.3373 -3383.2107 3383.2107 2150 1.0368346e-10 -2213.3373 -2213.3373 -3383.2135 3383.2135 2160 4.971885e-10 -2213.3373 -2213.3373 -3383.2272 3383.2272 2167 1.2412976e-09 -2213.3373 -2213.3373 -3383.2524 3383.2524 Loop time of 0.0667078 on 1 procs for 67 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33731475 -2213.33731541 -2213.33731549 Force two-norm initial, final = 0.0102871 0.00998654 Force max component initial, final = 0.00183918 0.00171881 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 67 67 Pair time (%) = 0.0603364 (90.4487) Neigh time (%) = 0 (0) Comm time (%) = 0.000540018 (0.809527) Outpt time (%) = 0.000402212 (0.602946) Other time (%) = 0.00542927 (8.13887) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1950 0 -2211.1828 -2211.1828 -3402.0389 3402.0389 1960 3.2584557e-08 -2211.1828 -2211.1828 -3402.0417 3402.0417 1970 3.5725606e-07 -2211.183 -2211.183 -3402.0712 3402.0712 1980 1.7440681e-06 -2211.1839 -2211.1839 -3402.1998 3402.1998 1990 9.3648662e-06 -2211.1885 -2211.1885 -3402.9035 3402.9035 2000 3.6680026e-05 -2211.2053 -2211.2053 -3405.4442 3405.4442 2010 0.0001709215 -2211.2871 -2211.2871 -3417.7676 3417.7676 2020 0.00057322384 -2211.5331 -2211.5331 -3453.8662 3453.8662 2030 0.0016155713 -2212.1862 -2212.1862 -3532.0375 3532.0375 2040 0.0022617914 -2212.9629 -2212.9629 -3409.4176 3409.4176 2050 3.2892463e-05 -2213.1828 -2213.1828 -3357.2157 3357.2157 2060 0.00019201116 -2213.2901 -2213.2901 -3407.9276 3407.9276 2070 0.00012945775 -2213.3003 -2213.3003 -3404.8227 3404.8227 2080 5.3312467e-06 -2213.3235 -2213.3235 -3402.4035 3402.4035 2090 1.9857796e-05 -2213.3339 -2213.3339 -3380.5865 3380.5865 2100 2.0882717e-06 -2213.3354 -2213.3354 -3376.7898 3376.7898 2110 8.3747331e-07 -2213.3366 -2213.3366 -3387.5347 3387.5347 2120 1.298858e-07 -2213.3368 -2213.3368 -3381.5627 3381.5627 2130 4.3484634e-07 -2213.337 -2213.337 -3384.3766 3384.3766 2140 5.4357401e-07 -2213.3373 -2213.3373 -3386.5147 3386.5147 2150 1.5037297e-08 -2213.3373 -2213.3373 -3384.5156 3384.5156 Loop time of 0.194623 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2211.18281686 -2213.33731474 -2213.33731877 Force two-norm initial, final = 6.14217 0.0383172 Force max component initial, final = 2.8723 0.0047198 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.17627 (90.5699) Neigh time (%) = 0 (0) Comm time (%) = 0.00160623 (0.825301) Outpt time (%) = 0.00131941 (0.67793) Other time (%) = 0.0154276 (7.92691) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.3373 -2213.3373 -3384.5156 3384.5156 2160 1.268077e-12 -2213.3373 -2213.3373 -3384.5156 3384.5156 2170 1.3902852e-11 -2213.3373 -2213.3373 -3384.5154 3384.5154 2180 6.7864633e-11 -2213.3373 -2213.3373 -3384.5146 3384.5146 2190 3.6420354e-10 -2213.3373 -2213.3373 -3384.5102 3384.5102 2200 1.423496e-09 -2213.3373 -2213.3373 -3384.4943 3384.4943 2210 6.5603499e-09 -2213.3373 -2213.3373 -3384.4144 3384.4144 2220 2.0919409e-08 -2213.3373 -2213.3373 -3384.1463 3384.1463 2230 3.2265521e-08 -2213.3373 -2213.3373 -3383.1917 3383.1917 2239 3.3328274e-08 -2213.3374 -2213.3374 -3383.2407 3383.2407 Loop time of 0.0877039 on 1 procs for 89 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33731877 -2213.3373535 -2213.33735559 Force two-norm initial, final = 0.0383168 0.00830792 Force max component initial, final = 0.00472141 0.00250143 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 89 89 Pair time (%) = 0.0793819 (90.5113) Neigh time (%) = 0 (0) Comm time (%) = 0.00072217 (0.823418) Outpt time (%) = 0.000524044 (0.597515) Other time (%) = 0.00707579 (8.06781) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 0 -2211.1515 -2211.1515 -3411.3121 3411.3121 2010 3.2324741e-08 -2211.1515 -2211.1515 -3411.3149 3411.3149 2020 3.5440769e-07 -2211.1517 -2211.1517 -3411.3436 3411.3436 2030 1.7301675e-06 -2211.1526 -2211.1526 -3411.4688 3411.4688 2040 9.2903774e-06 -2211.1572 -2211.1572 -3412.154 3412.154 2050 3.6390215e-05 -2211.1738 -2211.1738 -3414.628 3414.628 2060 0.00016962168 -2211.255 -2211.255 -3426.6284 3426.6284 2070 0.00056939292 -2211.4996 -2211.4996 -3461.7849 3461.7849 2080 0.0016148143 -2212.1545 -2212.1545 -3538.2143 3538.2143 2090 0.0022841291 -2212.9423 -2212.9423 -3415.3107 3415.3107 2100 3.2153885e-05 -2213.1739 -2213.1739 -3361.3238 3361.3238 2110 0.00019379167 -2213.2825 -2213.2825 -3406.9437 3406.9437 2120 0.00013851228 -2213.3017 -2213.3017 -3396.9963 3396.9963 2130 5.5822238e-06 -2213.3228 -2213.3228 -3403.1591 3403.1591 2140 2.0483389e-05 -2213.3335 -2213.3335 -3378.918 3378.918 2150 2.1492512e-06 -2213.3351 -2213.3351 -3377.5184 3377.5184 2160 8.7065461e-07 -2213.3364 -2213.3364 -3387.0652 3387.0652 2170 1.4382367e-07 -2213.3366 -2213.3366 -3381.7544 3381.7544 2180 5.0565848e-07 -2213.3369 -2213.3369 -3384.339 3384.339 2190 7.131839e-07 -2213.3372 -2213.3372 -3386.3857 3386.3857 2200 2.0015048e-08 -2213.3373 -2213.3373 -3384.417 3384.417 Loop time of 0.194431 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2211.15151379 -2213.33728474 -2213.3372901 Force two-norm initial, final = 6.11763 0.0441143 Force max component initial, final = 2.82204 0.00499624 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176169 (90.6075) Neigh time (%) = 0 (0) Comm time (%) = 0.00158906 (0.817287) Outpt time (%) = 0.00132203 (0.679948) Other time (%) = 0.0153508 (7.89525) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.3373 -2213.3373 -3384.417 3384.417 2210 1.6808426e-12 -2213.3373 -2213.3373 -3384.417 3384.417 2220 1.8428292e-11 -2213.3373 -2213.3373 -3384.4168 3384.4168 2230 8.9954882e-11 -2213.3373 -2213.3373 -3384.4161 3384.4161 2240 4.8274871e-10 -2213.3373 -2213.3373 -3384.4121 3384.4121 2250 1.8868656e-09 -2213.3373 -2213.3373 -3384.3976 3384.3976 2260 8.694724e-09 -2213.3373 -2213.3373 -3384.3246 3384.3246 2270 2.7766233e-08 -2213.3373 -2213.3373 -3384.0792 3384.0792 2280 4.1843159e-08 -2213.3373 -2213.3373 -3383.1932 3383.1932 2290 4.6387714e-08 -2213.3373 -2213.3373 -3383.3667 3383.3667 2296 5.8150279e-08 -2213.3374 -2213.3374 -3383.6667 3383.6667 Loop time of 0.0933969 on 1 procs for 96 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3372901 -2213.33735158 -2213.33735685 Force two-norm initial, final = 0.0441143 0.00840237 Force max component initial, final = 0.00499624 0.00140068 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 96 96 Pair time (%) = 0.0850444 (91.057) Neigh time (%) = 0 (0) Comm time (%) = 0.000775814 (0.830664) Outpt time (%) = 0.000594854 (0.63691) Other time (%) = 0.00698185 (7.47546) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2211.2138 -2211.2138 -3404.7166 3404.7166 2060 3.1592059e-08 -2211.2138 -2211.2138 -3404.7194 3404.7194 2070 3.4637482e-07 -2211.214 -2211.214 -3404.7479 3404.7479 2080 1.6909588e-06 -2211.2148 -2211.2148 -3404.8722 3404.8722 2090 9.0800115e-06 -2211.2193 -2211.2193 -3405.5525 3405.5525 2100 3.5569079e-05 -2211.2356 -2211.2356 -3408.009 3408.009 2110 0.00016584983 -2211.3149 -2211.3149 -3419.9305 3419.9305 2120 0.00055740232 -2211.5543 -2211.5543 -3454.8992 3454.8992 2130 0.001580225 -2212.1938 -2212.1938 -3530.6622 3530.6622 2140 0.002217678 -2212.9605 -2212.9605 -3413.1698 3413.1698 2150 3.3293749e-05 -2213.1855 -2213.1855 -3353.9454 3353.9454 2160 0.00018572333 -2213.2904 -2213.2904 -3409.6806 3409.6806 2170 0.00012995882 -2213.2992 -2213.2992 -3409.1134 3409.1134 2180 5.9430362e-06 -2213.3235 -2213.3235 -3403.2982 3403.2982 2190 1.2847988e-06 -2213.3288 -2213.3288 -3372.4834 3372.4834 2200 5.7780587e-06 -2213.332 -2213.332 -3391.0153 3391.0153 2210 9.3827692e-06 -2213.3366 -2213.3366 -3386.7712 3386.7712 2220 2.6712696e-08 -2213.3369 -2213.3369 -3382.6936 3382.6936 2230 3.2265295e-07 -2213.3371 -2213.3371 -3383.8604 3383.8604 2240 3.7688265e-07 -2213.3373 -2213.3373 -3383.9616 3383.9616 2250 2.5724425e-10 -2213.3373 -2213.3373 -3383.4758 3383.4758 Loop time of 0.194382 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2211.21379082 -2213.33732526 -2213.33732526 Force two-norm initial, final = 6.0479 0.0184086 Force max component initial, final = 2.83621 0.00230576 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.176021 (90.5544) Neigh time (%) = 0 (0) Comm time (%) = 0.00164342 (0.845459) Outpt time (%) = 0.00131798 (0.678035) Other time (%) = 0.0153992 (7.92214) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.3373 -2213.3373 -3383.4758 3383.4758 2260 3.0817239e-13 -2213.3373 -2213.3373 -3383.4758 3383.4758 2270 3.3788898e-12 -2213.3373 -2213.3373 -3383.4758 3383.4758 2280 1.6497685e-11 -2213.3373 -2213.3373 -3383.4758 3383.4758 2290 8.8651088e-11 -2213.3373 -2213.3373 -3383.4756 3383.4756 2300 3.4831322e-10 -2213.3373 -2213.3373 -3383.4748 3383.4748 2310 1.6459762e-09 -2213.3373 -2213.3373 -3383.4708 3383.4708 2320 5.8503797e-09 -2213.3373 -2213.3373 -3383.4577 3383.4577 2330 2.0663283e-08 -2213.3373 -2213.3373 -3383.4155 3383.4155 2340 4.9797547e-08 -2213.3373 -2213.3373 -3383.4593 3383.4593 2350 3.0847899e-07 -2213.3372 -2213.3372 -3383.3819 3383.3819 2360 2.6174838e-05 -2213.3224 -2213.3224 -3382.3001 3382.3001 2370 0.0057647236 -2212.311 -2212.311 -3305.1228 3305.1228 2380 0.015915974 -2208.477 -2208.477 -2265.2107 2265.2107 2390 0.032567628 -2198.573 -2198.573 4493.3849 -4493.3849 2400 0.06968849 -2189.0555 -2189.0555 7672.4066 -7672.4066 2410 0.069034203 -2178.7449 -2178.7449 11516.352 -11516.352 2420 0.27103119 -2131.5583 -2131.5583 25234.501 -25234.501 2430 0.53533154 -2118.0772 -2118.0772 28784.195 -28784.195 2440 0.64011807 -2136.1716 -2136.1716 29161.325 -29161.325 2450 0.56582242 -2136.6673 -2136.6673 29399.894 -29399.894 Loop time of 0.236382 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33732526 -2136.85167371 -2136.66730382 Force two-norm initial, final = 0.0188891 24.3969 Force max component initial, final = 0.00238544 7.92386 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.204033 (86.3151) Neigh time (%) = 0.0138628 (5.8646) Comm time (%) = 0.00216842 (0.917336) Outpt time (%) = 0.00135541 (0.573398) Other time (%) = 0.014962 (6.32957) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1034 ave 1034 max 1034 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 13814 ave 13814 max 13814 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 13814 Ave neighs/atom = 27.0333 Neighbor list builds = 21 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 1950 0 -2213.2906 -2213.2906 -3390.0754 3390.0754 1960 3.651729e-10 -2213.2906 -2213.2906 -3390.0754 3390.0754 1970 4.0037477e-09 -2213.2906 -2213.2906 -3390.0754 3390.0754 1980 1.9545806e-08 -2213.2906 -2213.2906 -3390.0752 3390.0752 1990 1.0495491e-07 -2213.2906 -2213.2906 -3390.0743 3390.0743 2000 4.1113958e-07 -2213.2908 -2213.2908 -3390.0709 3390.0709 2010 1.9158282e-06 -2213.2917 -2213.2917 -3390.0476 3390.0476 2020 6.4003012e-06 -2213.2945 -2213.2945 -3389.8954 3389.8954 2030 1.5620479e-05 -2213.3005 -2213.3005 -3388.2297 3388.2297 2040 1.8208142e-05 -2213.308 -2213.308 -3386.632 3386.632 2050 3.1177788e-05 -2213.324 -2213.324 -3382.9207 3382.9207 2060 4.3863516e-06 -2213.3328 -2213.3328 -3383.2332 3383.2332 2070 7.3361772e-07 -2213.3333 -2213.3333 -3382.7952 3382.7952 2080 3.1582813e-06 -2213.3346 -2213.3346 -3383.0258 3383.0258 2090 7.0725071e-09 -2213.3369 -2213.3369 -3383.1756 3383.1756 2100 3.1673809e-08 -2213.337 -2213.337 -3383.204 3383.204 2110 2.9362402e-07 -2213.3372 -2213.3372 -3383.3038 3383.3038 2120 1.318248e-08 -2213.3373 -2213.3373 -3383.3765 3383.3765 2130 5.729238e-09 -2213.3373 -2213.3373 -3383.383 3383.383 2140 3.2658009e-08 -2213.3373 -2213.3373 -3383.3858 3383.3858 2147 7.906804e-08 -2213.3373 -2213.3373 -3383.3953 3383.3953 Loop time of 0.194966 on 1 procs for 197 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29056649 -2213.3373355 -2213.33734049 Force two-norm initial, final = 0.650227 0.00694553 Force max component initial, final = 0.0796246 0.000550358 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 197 197 Pair time (%) = 0.175868 (90.2044) Neigh time (%) = 0 (0) Comm time (%) = 0.00161266 (0.827151) Outpt time (%) = 0.00132537 (0.679795) Other time (%) = 0.01616 (8.28863) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2147 0 -2213.3373 -2213.3373 -3383.3953 3383.3953 2148 3.3786058e-16 -2213.3373 -2213.3373 -3383.3953 3383.3953 Loop time of 0.00213385 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734049 -2213.33734049 -2213.33734049 Force two-norm initial, final = 0.00694553 0.00694553 Force max component initial, final = 0.000550358 0.000550358 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00191092 (89.5531) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.748603) Outpt time (%) = 0 (0) Other time (%) = 0.000206947 (9.69832) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.2909 -2213.2909 -3389.7978 3389.7978 2010 3.2066786e-10 -2213.2909 -2213.2909 -3389.7978 3389.7978 2020 3.5159604e-09 -2213.2909 -2213.2909 -3389.7977 3389.7977 2030 1.7168596e-08 -2213.2909 -2213.2909 -3389.7972 3389.7972 2040 9.2300872e-08 -2213.291 -2213.291 -3389.7946 3389.7946 2050 3.6336204e-07 -2213.2911 -2213.2911 -3389.7853 3389.7853 2060 1.7311147e-06 -2213.292 -2213.292 -3389.7392 3389.7392 2070 6.2727929e-06 -2213.2946 -2213.2946 -3389.5972 3389.5972 2080 1.8547814e-05 -2213.3024 -2213.3024 -3388.9821 3388.9821 2090 2.13837e-05 -2213.3116 -2213.3116 -3387.6948 3387.6948 2100 4.2544604e-05 -2213.3315 -2213.3315 -3383.7238 3383.7238 2110 4.1347986e-06 -2213.3341 -2213.3341 -3381.5687 3381.5687 2120 6.6709458e-07 -2213.3348 -2213.3348 -3382.1498 3382.1498 2130 2.3359417e-06 -2213.336 -2213.336 -3382.7819 3382.7819 2140 7.5504139e-08 -2213.3369 -2213.3369 -3383.1542 3383.1542 2150 3.305474e-08 -2213.337 -2213.337 -3383.275 3383.275 2160 2.6240495e-07 -2213.3371 -2213.3371 -3383.2464 3383.2464 2170 1.769359e-09 -2213.3373 -2213.3373 -3383.4083 3383.4083 2180 1.922601e-09 -2213.3373 -2213.3373 -3383.4205 3383.4205 Loop time of 0.175266 on 1 procs for 180 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29091085 -2213.33733794 -2213.33733826 Force two-norm initial, final = 0.609316 0.00824906 Force max component initial, final = 0.0610932 0.000710472 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 180 180 Pair time (%) = 0.158335 (90.3399) Neigh time (%) = 0 (0) Comm time (%) = 0.00147915 (0.843945) Outpt time (%) = 0.00111341 (0.635271) Other time (%) = 0.0143383 (8.18085) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2180 0 -2213.3373 -2213.3373 -3383.4205 3383.4205 2181 4.7657899e-16 -2213.3373 -2213.3373 -3383.4205 3383.4205 Loop time of 0.00207591 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733826 -2213.33733826 -2213.33733826 Force two-norm initial, final = 0.00824906 0.00824906 Force max component initial, final = 0.000710472 0.000710472 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184822 (89.0318) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.723556) Outpt time (%) = 0 (0) Other time (%) = 0.000212669 (10.2446) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2901 -2213.2901 -3389.3146 3389.3146 2060 3.460926e-10 -2213.2901 -2213.2901 -3389.3146 3389.3146 2070 3.7947351e-09 -2213.2901 -2213.2901 -3389.3146 3389.3146 2080 1.8529979e-08 -2213.2902 -2213.2902 -3389.3144 3389.3144 2090 9.9623189e-08 -2213.2902 -2213.2902 -3389.3136 3389.3136 2100 3.9223446e-07 -2213.2904 -2213.2904 -3389.3107 3389.3107 2110 1.8696809e-06 -2213.2913 -2213.2913 -3389.2969 3389.2969 2120 6.7794474e-06 -2213.2941 -2213.2941 -3389.2643 3389.2643 2130 1.9732523e-05 -2213.3024 -2213.3024 -3389.0349 3389.0349 2140 2.0551364e-05 -2213.3112 -2213.3112 -3387.6796 3387.6796 2150 4.2145593e-05 -2213.3312 -2213.3312 -3384.0208 3384.0208 2160 4.4584066e-06 -2213.3344 -2213.3344 -3381.4464 3381.4464 2170 6.6757504e-07 -2213.335 -2213.335 -3382.131 3382.131 2180 2.0667569e-06 -2213.3361 -2213.3361 -3382.9055 3382.9055 2190 7.3315977e-08 -2213.337 -2213.337 -3383.1794 3383.1794 2200 2.5504737e-08 -2213.337 -2213.337 -3383.3151 3383.3151 2210 1.5187303e-07 -2213.3371 -2213.3371 -3383.3065 3383.3065 2220 3.8780381e-09 -2213.3373 -2213.3373 -3383.4232 3383.4232 2230 6.1863933e-09 -2213.3373 -2213.3373 -3383.4615 3383.4615 2240 2.67284e-08 -2213.3373 -2213.3373 -3383.419 3383.419 2243 4.519497e-08 -2213.3373 -2213.3373 -3383.4135 3383.4135 Loop time of 0.189391 on 1 procs for 193 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29014076 -2213.33731919 -2213.33732348 Force two-norm initial, final = 0.633011 0.00944827 Force max component initial, final = 0.0711637 0.000739614 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 193 193 Pair time (%) = 0.171698 (90.658) Neigh time (%) = 0 (0) Comm time (%) = 0.0015645 (0.826071) Outpt time (%) = 0.00125265 (0.66141) Other time (%) = 0.0148757 (7.85447) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2243 0 -2213.3373 -2213.3373 -3383.4135 3383.4135 2244 6.3250958e-16 -2213.3373 -2213.3373 -3383.4135 3383.4135 Loop time of 0.00212622 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33732348 -2213.33732348 -2213.33732348 Force two-norm initial, final = 0.00950321 0.00950321 Force max component initial, final = 0.000796293 0.000796293 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00189972 (89.3474) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.740076) Outpt time (%) = 0 (0) Other time (%) = 0.000210762 (9.91254) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2000 0 -2213.2785 -2213.2785 -3393.1909 3393.1909 2010 1.824878e-10 -2213.2785 -2213.2785 -3393.1909 3393.1909 2020 2.0008411e-09 -2213.2785 -2213.2785 -3393.1904 3393.1904 2030 9.7689717e-09 -2213.2785 -2213.2785 -3393.1885 3393.1885 2040 5.2488274e-08 -2213.2785 -2213.2785 -3393.1779 3393.1779 2050 2.060903e-07 -2213.2786 -2213.2786 -3393.1391 3393.1391 2060 9.7152356e-07 -2213.2791 -2213.2791 -3392.9418 3392.9418 2070 3.3942683e-06 -2213.2805 -2213.2805 -3392.2528 3392.2528 2080 1.1165186e-05 -2213.2852 -2213.2852 -3389.2669 3389.2669 2090 2.3898872e-05 -2213.2951 -2213.2951 -3387.6856 3387.6856 2100 6.1600129e-05 -2213.3236 -2213.3236 -3383.4076 3383.4076 2110 1.231791e-06 -2213.3359 -2213.3359 -3380.8529 3380.8529 2120 4.1335529e-07 -2213.337 -2213.337 -3383.3903 3383.3903 2130 4.2457758e-08 -2213.337 -2213.337 -3383.2675 3383.2675 2140 2.2244875e-07 -2213.3371 -2213.3371 -3383.3553 3383.3553 2150 3.7477531e-07 -2213.3373 -2213.3373 -3383.3954 3383.3954 2160 8.6401851e-10 -2213.3373 -2213.3373 -3383.3904 3383.3904 2170 2.0713192e-08 -2213.3373 -2213.3373 -3383.4082 3383.4082 2174 4.2374264e-08 -2213.3373 -2213.3373 -3383.4046 3383.4046 Loop time of 0.168255 on 1 procs for 174 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27845984 -2213.33733672 -2213.3373405 Force two-norm initial, final = 0.459655 0.00967851 Force max component initial, final = 0.0415206 0.000900576 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.152963 (90.9113) Neigh time (%) = 0 (0) Comm time (%) = 0.00141072 (0.838443) Outpt time (%) = 0.00111938 (0.665285) Other time (%) = 0.0127621 (7.58495) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2174 0 -2213.3373 -2213.3373 -3383.4046 3383.4046 2175 5.8833361e-16 -2213.3373 -2213.3373 -3383.4046 3383.4046 Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3373405 -2213.3373405 -2213.3373405 Force two-norm initial, final = 0.00916534 0.00916534 Force max component initial, final = 0.000823438 0.000823438 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185204 (89.2566) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.827301) Outpt time (%) = 0 (0) Other time (%) = 0.000205755 (9.91612) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2917 -2213.2917 -3394.4876 3394.4876 2060 1.7474194e-10 -2213.2917 -2213.2917 -3394.4876 3394.4876 2070 1.9159121e-09 -2213.2917 -2213.2917 -3394.4868 3394.4868 2080 9.3542556e-09 -2213.2917 -2213.2917 -3394.4836 3394.4836 2090 5.0258828e-08 -2213.2918 -2213.2918 -3394.4657 3394.4657 2100 1.9731035e-07 -2213.2919 -2213.2919 -3394.4008 3394.4008 2110 9.2968524e-07 -2213.2923 -2213.2923 -3394.0728 3394.0728 2120 3.2385544e-06 -2213.2937 -2213.2937 -3392.9571 3392.9571 2130 1.0503971e-05 -2213.2982 -2213.2982 -3388.5691 3388.5691 2140 2.0915586e-05 -2213.3068 -2213.3068 -3387.3528 3387.3528 2150 4.0721384e-05 -2213.3259 -2213.3259 -3383.3665 3383.3665 2160 2.2924418e-06 -2213.3338 -2213.3338 -3382.6432 3382.6432 2170 5.0935578e-07 -2213.3342 -2213.3342 -3382.7258 3382.7258 2180 2.40135e-06 -2213.3354 -2213.3354 -3382.9334 3382.9334 2190 1.144471e-08 -2213.3371 -2213.3371 -3384.0026 3384.0026 2200 2.6677816e-08 -2213.3372 -2213.3372 -3383.4475 3383.4475 2210 1.7126415e-07 -2213.3373 -2213.3373 -3383.3822 3383.3822 2220 1.5158237e-08 -2213.3374 -2213.3374 -3383.496 3383.496 2221 1.8077668e-08 -2213.3374 -2213.3374 -3383.4464 3383.4464 Loop time of 0.166323 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29174102 -2213.3373518 -2213.3373531 Force two-norm initial, final = 0.449794 0.00710741 Force max component initial, final = 0.0562533 0.000547492 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.150525 (90.5018) Neigh time (%) = 0 (0) Comm time (%) = 0.00136876 (0.822954) Outpt time (%) = 0.00113058 (0.67975) Other time (%) = 0.0132983 (7.99545) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2221 0 -2213.3374 -2213.3374 -3383.4464 3383.4464 2222 3.5379307e-16 -2213.3374 -2213.3374 -3383.4464 3383.4464 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 = -2213.3373531 -2213.3373531 -2213.3373531 Force two-norm initial, final = 0.00710741 0.00710741 Force max component initial, final = 0.000547492 0.000547492 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.6846) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.739286) Outpt time (%) = 0 (0) Other time (%) = 0.000197649 (9.57607) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.2912 -2213.2912 -3393.6683 3393.6683 2110 1.7876869e-10 -2213.2912 -2213.2912 -3393.6682 3393.6682 2120 1.9600654e-09 -2213.2912 -2213.2912 -3393.6676 3393.6676 2130 9.5698993e-09 -2213.2912 -2213.2912 -3393.665 3393.665 2140 5.1419437e-08 -2213.2912 -2213.2912 -3393.6507 3393.6507 2150 2.0189651e-07 -2213.2913 -2213.2913 -3393.5984 3393.5984 2160 9.5197559e-07 -2213.2917 -2213.2917 -3393.3343 3393.3343 2170 3.324579e-06 -2213.2932 -2213.2932 -3392.4297 3392.4297 2180 1.0885465e-05 -2213.2978 -2213.2978 -3388.7637 3388.7637 2190 2.1320267e-05 -2213.3066 -2213.3066 -3387.335 3387.335 2200 4.1402763e-05 -2213.3259 -2213.3259 -3383.4026 3383.4026 2210 2.1951565e-06 -2213.3339 -2213.3339 -3382.6956 3382.6956 2220 7.4475869e-07 -2213.3345 -2213.3345 -3382.75 3382.75 2230 2.0975945e-06 -2213.3355 -2213.3355 -3382.9567 3382.9567 2240 1.8199317e-07 -2213.3368 -2213.3368 -3382.7386 3382.7386 2250 5.7206685e-08 -2213.3369 -2213.3369 -3383.4149 3383.4149 2260 3.6222721e-07 -2213.3371 -2213.3371 -3383.3461 3383.3461 2270 5.5908564e-07 -2213.3373 -2213.3373 -3383.5981 3383.5981 2274 3.80495e-08 -2213.3373 -2213.3373 -3383.4198 3383.4198 Loop time of 0.172789 on 1 procs for 174 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29115939 -2213.33732842 -2213.33733322 Force two-norm initial, final = 0.454947 0.00993767 Force max component initial, final = 0.0602367 0.00110121 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 174 174 Pair time (%) = 0.156205 (90.4019) Neigh time (%) = 0 (0) Comm time (%) = 0.00142288 (0.823479) Outpt time (%) = 0.00114012 (0.659832) Other time (%) = 0.0140214 (8.11475) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2274 0 -2213.3373 -2213.3373 -3383.4198 3383.4198 2280 2.7758269e-14 -2213.3373 -2213.3373 -3383.4198 3383.4198 2290 4.2694666e-13 -2213.3373 -2213.3373 -3383.4198 3383.4198 2300 2.769883e-12 -2213.3373 -2213.3373 -3383.4198 3383.4198 2310 1.3670549e-11 -2213.3373 -2213.3373 -3383.4197 3383.4197 2320 6.2665913e-11 -2213.3373 -2213.3373 -3383.4194 3383.4194 2330 2.6810108e-10 -2213.3373 -2213.3373 -3383.418 3383.418 2340 1.1361783e-09 -2213.3373 -2213.3373 -3383.4123 3383.4123 2342 1.46119e-09 -2213.3373 -2213.3373 -3383.4102 3383.4102 Loop time of 0.0679121 on 1 procs for 68 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733322 -2213.33733379 -2213.33733387 Force two-norm initial, final = 0.0104926 0.00999115 Force max component initial, final = 0.00112799 0.00102114 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 68 68 Pair time (%) = 0.0613608 (90.3533) Neigh time (%) = 0 (0) Comm time (%) = 0.000541449 (0.797279) Outpt time (%) = 0.000460148 (0.677564) Other time (%) = 0.00554967 (8.17184) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2050 0 -2213.2844 -2213.2844 -3387.3386 3387.3386 2060 9.3878468e-11 -2213.2844 -2213.2844 -3387.3386 3387.3386 2070 1.0293359e-09 -2213.2844 -2213.2844 -3387.3387 3387.3387 2080 5.026312e-09 -2213.2844 -2213.2844 -3387.3392 3387.3392 2090 2.7025171e-08 -2213.2844 -2213.2844 -3387.3415 3387.3415 2100 1.0638908e-07 -2213.2845 -2213.2845 -3387.3501 3387.3501 2110 5.0814473e-07 -2213.2847 -2213.2847 -3387.3921 3387.3921 2120 1.8591506e-06 -2213.2855 -2213.2855 -3387.5192 3387.5192 2130 7.6172543e-06 -2213.289 -2213.289 -3387.7802 3387.7802 2140 2.2551443e-05 -2213.2984 -2213.2984 -3386.6432 3386.6432 2150 6.5445278e-05 -2213.3262 -2213.3262 -3384.4524 3384.4524 2160 3.9849814e-07 -2213.3367 -2213.3367 -3383.6254 3383.6254 2170 7.9081604e-08 -2213.3369 -2213.3369 -3383.832 3383.832 2180 3.4266111e-07 -2213.337 -2213.337 -3383.7717 3383.7717 2190 5.385667e-09 -2213.3374 -2213.3374 -3383.6123 3383.6123 2200 1.1469665e-08 -2213.3374 -2213.3374 -3383.3136 3383.3136 2210 1.9623963e-09 -2213.3374 -2213.3374 -3383.4077 3383.4077 2211 2.4403601e-09 -2213.3374 -2213.3374 -3383.3976 3383.3976 Loop time of 0.161481 on 1 procs for 161 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28441421 -2213.33737984 -2213.33738006 Force two-norm initial, final = 0.329684 0.00607163 Force max component initial, final = 0.0290021 0.000593323 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 161 161 Pair time (%) = 0.145187 (89.9098) Neigh time (%) = 0 (0) Comm time (%) = 0.00138664 (0.858704) Outpt time (%) = 0.00106454 (0.659235) Other time (%) = 0.0138426 (8.57227) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2211 0 -2213.3374 -2213.3374 -3383.3976 3383.3976 2212 2.5818811e-16 -2213.3374 -2213.3374 -3383.3976 3383.3976 Loop time of 0.00207686 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738006 -2213.33738006 -2213.33738006 Force two-norm initial, final = 0.00607163 0.00607163 Force max component initial, final = 0.000593323 0.000593323 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (89.0828) Neigh time (%) = 0 (0) Comm time (%) = 1.81198e-05 (0.87246) Outpt time (%) = 0 (0) Other time (%) = 0.000208616 (10.0448) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.3114 -2213.3114 -3386.639 3386.639 2110 9.8846075e-11 -2213.3114 -2213.3114 -3386.639 3386.639 2120 1.08377e-09 -2213.3114 -2213.3114 -3386.639 3386.639 2130 5.2913372e-09 -2213.3115 -2213.3115 -3386.6391 3386.6391 2140 2.8428064e-08 -2213.3115 -2213.3115 -3386.6392 3386.6392 2150 1.1157494e-07 -2213.3115 -2213.3115 -3386.6398 3386.6398 2160 5.2520582e-07 -2213.3118 -2213.3118 -3386.6416 3386.6416 2170 1.8192449e-06 -2213.3126 -2213.3126 -3386.6321 3386.6321 2180 5.7986907e-06 -2213.3151 -2213.3151 -3386.3651 3386.3651 2190 1.2072984e-05 -2213.32 -2213.32 -3385.594 3385.594 2200 2.6754459e-05 -2213.3317 -2213.3317 -3383.6442 3383.6442 2210 6.4254822e-07 -2213.3369 -2213.3369 -3382.5076 3382.5076 2220 8.873024e-08 -2213.3371 -2213.3371 -3383.1022 3383.1022 2230 2.7449183e-07 -2213.3373 -2213.3373 -3383.2303 3383.2303 2240 6.5785719e-09 -2213.3374 -2213.3374 -3383.3927 3383.3927 2250 6.7833739e-09 -2213.3374 -2213.3374 -3383.4835 3383.4835 2259 1.6691116e-08 -2213.3374 -2213.3374 -3383.4165 3383.4165 Loop time of 0.157415 on 1 procs for 159 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31144909 -2213.33738148 -2213.33738297 Force two-norm initial, final = 0.338295 0.00439504 Force max component initial, final = 0.0488133 0.000424987 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 159 159 Pair time (%) = 0.142182 (90.3229) Neigh time (%) = 0 (0) Comm time (%) = 0.00138593 (0.880428) Outpt time (%) = 0.00100446 (0.638095) Other time (%) = 0.0128429 (8.15861) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2259 0 -2213.3374 -2213.3374 -3383.4165 3383.4165 2260 1.3528595e-16 -2213.3374 -2213.3374 -3383.4165 3383.4165 Loop time of 0.00220013 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738297 -2213.33738297 -2213.33738297 Force two-norm initial, final = 0.00439504 0.00439504 Force max component initial, final = 0.000424987 0.000424987 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00198293 (90.1279) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.715215) Outpt time (%) = 0 (0) Other time (%) = 0.000201464 (9.15691) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.3114 -2213.3114 -3384.5026 3384.5026 2160 1.0972457e-10 -2213.3114 -2213.3114 -3384.5026 3384.5026 2170 1.2030328e-09 -2213.3114 -2213.3114 -3384.503 3384.503 2180 5.8733654e-09 -2213.3114 -2213.3114 -3384.5047 3384.5047 2190 3.1547647e-08 -2213.3115 -2213.3115 -3384.514 3384.514 2200 1.237105e-07 -2213.3115 -2213.3115 -3384.5479 3384.5479 2210 5.7979069e-07 -2213.3118 -2213.3118 -3384.716 3384.716 2220 1.9771858e-06 -2213.3126 -2213.3126 -3385.2517 3385.2517 2230 5.8900337e-06 -2213.3152 -2213.3152 -3386.8229 3386.8229 2240 1.2507253e-05 -2213.3203 -2213.3203 -3385.8978 3385.8978 2250 2.5918202e-05 -2213.3318 -2213.3318 -3383.3426 3383.3426 2260 1.8884838e-06 -2213.3363 -2213.3363 -3382.9134 3382.9134 2270 2.8231445e-07 -2213.3364 -2213.3364 -3382.8024 3382.8024 2280 8.8818983e-07 -2213.3368 -2213.3368 -3382.9757 3382.9757 2290 1.1622235e-06 -2213.3372 -2213.3372 -3382.6888 3382.6888 2300 1.1533647e-08 -2213.3373 -2213.3373 -3383.504 3383.504 2310 7.9267255e-08 -2213.3374 -2213.3374 -3383.5166 3383.5166 2317 1.9206956e-09 -2213.3374 -2213.3374 -3383.3738 3383.3738 Loop time of 0.163387 on 1 procs for 167 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31143773 -2213.33737163 -2213.33737201 Force two-norm initial, final = 0.356424 0.00583932 Force max component initial, final = 0.0387665 0.000487813 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 167 167 Pair time (%) = 0.148154 (90.6767) Neigh time (%) = 0 (0) Comm time (%) = 0.00134397 (0.822567) Outpt time (%) = 0.00105882 (0.648043) Other time (%) = 0.0128303 (7.85269) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2317 0 -2213.3374 -2213.3374 -3383.3738 3383.3738 2318 2.3880939e-16 -2213.3374 -2213.3374 -3383.3738 3383.3738 Loop time of 0.00207615 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737201 -2213.33737201 -2213.33737201 Force two-norm initial, final = 0.00583932 0.00583932 Force max component initial, final = 0.000487813 0.000487813 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018518 (89.1938) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.815342) Outpt time (%) = 0 (0) Other time (%) = 0.000207424 (9.99081) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2100 0 -2213.2911 -2213.2911 -3386.1544 3386.1544 2110 7.3831588e-11 -2213.2911 -2213.2911 -3386.1544 3386.1544 2120 8.0953052e-10 -2213.2911 -2213.2911 -3386.1545 3386.1545 2130 3.9529683e-09 -2213.2911 -2213.2911 -3386.1549 3386.1549 2140 2.1253812e-08 -2213.2912 -2213.2912 -3386.1571 3386.1571 2150 8.3659074e-08 -2213.2912 -2213.2912 -3386.165 3386.165 2160 3.9948484e-07 -2213.2914 -2213.2914 -3386.2042 3386.2042 2170 1.4588716e-06 -2213.292 -2213.292 -3386.3287 3386.3287 2180 6.0029447e-06 -2213.2948 -2213.2948 -3386.7007 3386.7007 2190 1.7980671e-05 -2213.3025 -2213.3025 -3386.2304 3386.2304 2200 5.4310512e-05 -2213.3249 -2213.3249 -3384.4849 3384.4849 2210 4.3750248e-07 -2213.3368 -2213.3368 -3383.273 3383.273 2220 1.7992773e-07 -2213.337 -2213.337 -3383.4872 3383.4872 2230 6.7888062e-07 -2213.3372 -2213.3372 -3383.524 3383.524 2240 2.1596709e-08 -2213.3372 -2213.3372 -3383.5471 3383.5471 2250 2.2191894e-08 -2213.3373 -2213.3373 -3383.5583 3383.5583 2260 1.2832042e-07 -2213.3373 -2213.3373 -3383.5494 3383.5494 2267 3.4543387e-09 -2213.3374 -2213.3374 -3383.5199 3383.5199 Loop time of 0.16148 on 1 procs for 167 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29114123 -2213.33736358 -2213.33736434 Force two-norm initial, final = 0.292372 0.00911361 Force max component initial, final = 0.0269889 0.000736877 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 167 167 Pair time (%) = 0.146557 (90.7588) Neigh time (%) = 0 (0) Comm time (%) = 0.00135565 (0.839515) Outpt time (%) = 0.00105166 (0.651266) Other time (%) = 0.0125153 (7.75038) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2267 0 -2213.3374 -2213.3374 -3383.5199 3383.5199 2268 6.1142256e-16 -2213.3374 -2213.3374 -3383.5199 3383.5199 Loop time of 0.00207305 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736434 -2213.33736434 -2213.33736434 Force two-norm initial, final = 0.00934346 0.00934346 Force max component initial, final = 0.000803747 0.000803747 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184703 (89.0972) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.770558) Outpt time (%) = 0 (0) Other time (%) = 0.000210047 (10.1323) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.3151 -2213.3151 -3383.8638 3383.8638 2160 4.3960528e-11 -2213.3151 -2213.3151 -3383.8638 3383.8638 2170 4.8200801e-10 -2213.3151 -2213.3151 -3383.8639 3383.8639 2180 2.3536638e-09 -2213.3151 -2213.3151 -3383.8644 3383.8644 2190 1.2655047e-08 -2213.3151 -2213.3151 -3383.8669 3383.8669 2200 4.9811956e-08 -2213.3151 -2213.3151 -3383.876 3383.876 2210 2.3790332e-07 -2213.3152 -2213.3152 -3383.9212 3383.9212 2220 8.6797118e-07 -2213.3156 -2213.3156 -3384.0668 3384.0668 2230 3.5478175e-06 -2213.3173 -2213.3173 -3384.5343 3384.5343 2240 1.025283e-05 -2213.3216 -2213.3216 -3384.2359 3384.2359 2250 2.7734399e-05 -2213.3332 -2213.3332 -3384.0896 3384.0896 2260 1.5194387e-07 -2213.337 -2213.337 -3383.7369 3383.7369 2270 1.9310456e-08 -2213.3372 -2213.3372 -3383.6285 3383.6285 2280 1.098617e-08 -2213.3372 -2213.3372 -3383.7059 3383.7059 2290 8.4398988e-08 -2213.3373 -2213.3373 -3383.5694 3383.5694 2300 1.9377577e-07 -2213.3374 -2213.3374 -3383.3857 3383.3857 2307 2.1471013e-08 -2213.3374 -2213.3374 -3383.3578 3383.3578 Loop time of 0.152832 on 1 procs for 157 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31507142 -2213.33738291 -2213.33738516 Force two-norm initial, final = 0.225604 0.00405008 Force max component initial, final = 0.0177168 0.000335383 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 157 157 Pair time (%) = 0.138287 (90.483) Neigh time (%) = 0 (0) Comm time (%) = 0.00126386 (0.826958) Outpt time (%) = 0.000985622 (0.644906) Other time (%) = 0.0122955 (8.0451) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2307 0 -2213.3374 -2213.3374 -3383.3578 3383.3578 2308 1.1488233e-16 -2213.3374 -2213.3374 -3383.3578 3383.3578 Loop time of 0.00214601 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738516 -2213.33738516 -2213.33738516 Force two-norm initial, final = 0.00405008 0.00405008 Force max component initial, final = 0.000335383 0.000335383 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0019331 (90.0789) Neigh time (%) = 0 (0) Comm time (%) = 1.40667e-05 (0.655483) Outpt time (%) = 0 (0) Other time (%) = 0.000198841 (9.26564) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.3127 -2213.3127 -3381.0479 3381.0479 2210 8.2981786e-11 -2213.3127 -2213.3127 -3381.048 3381.048 2220 9.0983593e-10 -2213.3127 -2213.3127 -3381.0486 3381.0486 2230 4.4422473e-09 -2213.3127 -2213.3127 -3381.0512 3381.0512 2240 2.386978e-08 -2213.3127 -2213.3127 -3381.0652 3381.0652 2250 9.3733391e-08 -2213.3127 -2213.3127 -3381.1163 3381.1163 2260 4.4243413e-07 -2213.3129 -2213.3129 -3381.3712 3381.3712 2270 1.546971e-06 -2213.3136 -2213.3136 -3382.1996 3382.1996 2280 5.1963351e-06 -2213.3159 -2213.3159 -3384.9227 3384.9227 2290 1.2047587e-05 -2213.3209 -2213.3209 -3384.348 3384.348 2300 2.7812234e-05 -2213.3329 -2213.3329 -3383.786 3383.786 2310 6.4273356e-07 -2213.3369 -2213.3369 -3383.8684 3383.8684 2320 1.0819724e-07 -2213.337 -2213.337 -3383.7437 3383.7437 2330 2.6238844e-07 -2213.3372 -2213.3372 -3383.7512 3383.7512 2340 4.6564453e-07 -2213.3373 -2213.3373 -3383.3777 3383.3777 2350 5.9216594e-09 -2213.3374 -2213.3374 -3383.3398 3383.3398 2357 1.8518435e-08 -2213.3374 -2213.3374 -3383.3695 3383.3695 Loop time of 0.154385 on 1 procs for 157 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31267372 -2213.33737677 -2213.33737867 Force two-norm initial, final = 0.309961 0.00716295 Force max component initial, final = 0.0625706 0.000562822 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 157 157 Pair time (%) = 0.139282 (90.2174) Neigh time (%) = 0 (0) Comm time (%) = 0.00126457 (0.819104) Outpt time (%) = 0.00098753 (0.639655) Other time (%) = 0.0128508 (8.32385) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2357 0 -2213.3374 -2213.3374 -3383.3695 3383.3695 2358 3.5934347e-16 -2213.3374 -2213.3374 -3383.3695 3383.3695 Loop time of 0.00209689 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737867 -2213.33737867 -2213.33737867 Force two-norm initial, final = 0.00716295 0.00716295 Force max component initial, final = 0.000562822 0.000562822 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (88.2774) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.750426) Outpt time (%) = 0 (0) Other time (%) = 0.000230074 (10.9721) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2150 0 -2213.2676 -2213.2676 -3389.2515 3389.2515 2160 1.4114021e-10 -2213.2676 -2213.2676 -3389.2515 3389.2515 2170 1.5475243e-09 -2213.2676 -2213.2676 -3389.2516 3389.2516 2180 7.5562785e-09 -2213.2676 -2213.2676 -3389.2519 3389.2519 2190 4.061766e-08 -2213.2676 -2213.2676 -3389.2536 3389.2536 2200 1.597317e-07 -2213.2677 -2213.2677 -3389.2598 3389.2598 2210 7.591669e-07 -2213.2681 -2213.2681 -3389.2907 3389.2907 2220 2.7224674e-06 -2213.2693 -2213.2693 -3389.3913 3389.3913 2230 9.9816491e-06 -2213.2737 -2213.2737 -3389.7388 3389.7388 2240 1.7838504e-05 -2213.2814 -2213.2814 -3389.8418 3389.8418 2250 6.3481314e-05 -2213.3095 -2213.3095 -3385.923 3385.923 2260 1.1945892e-06 -2213.3336 -2213.3336 -3383.6774 3383.6774 2270 5.0511045e-07 -2213.3347 -2213.3347 -3383.7287 3383.7287 2280 1.5897698e-06 -2213.3358 -2213.3358 -3383.6752 3383.6752 2290 3.9282561e-08 -2213.3366 -2213.3366 -3383.5415 3383.5415 2300 2.7420195e-07 -2213.3368 -2213.3368 -3383.529 3383.529 2310 3.842969e-08 -2213.337 -2213.337 -3383.4187 3383.4187 2320 1.2637995e-07 -2213.3371 -2213.3371 -3383.4096 3383.4096 2330 7.6229373e-10 -2213.3372 -2213.3372 -3383.4168 3383.4168 2334 3.9969517e-09 -2213.3372 -2213.3372 -3383.4134 3383.4134 Loop time of 0.178537 on 1 procs for 184 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26760656 -2213.3371719 -2213.33717267 Force two-norm initial, final = 0.404241 0.00996929 Force max component initial, final = 0.0557971 0.000902703 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 184 184 Pair time (%) = 0.161681 (90.5589) Neigh time (%) = 0 (0) Comm time (%) = 0.0015018 (0.841169) Outpt time (%) = 0.00117898 (0.660356) Other time (%) = 0.0141752 (7.93962) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2334 0 -2213.3372 -2213.3372 -3383.4134 3383.4134 2340 7.9415389e-14 -2213.3372 -2213.3372 -3383.4134 3383.4134 2350 1.2214883e-12 -2213.3372 -2213.3372 -3383.4134 3383.4134 2360 7.9249671e-12 -2213.3372 -2213.3372 -3383.4134 3383.4134 2370 3.9121875e-11 -2213.3372 -2213.3372 -3383.4134 3383.4134 2380 1.795131e-10 -2213.3372 -2213.3372 -3383.4133 3383.4133 2390 7.7126492e-10 -2213.3372 -2213.3372 -3383.4133 3383.4133 2400 3.3251425e-09 -2213.3372 -2213.3372 -3383.4131 3383.4131 2410 1.3922334e-08 -2213.3372 -2213.3372 -3383.4127 3383.4127 2420 5.9800438e-08 -2213.3372 -2213.3372 -3383.4168 3383.4168 2430 2.6950324e-07 -2213.3371 -2213.3371 -3383.4256 3383.4256 2440 1.6729927e-06 -2213.3363 -2213.3363 -3383.5291 3383.5291 2450 5.7378871e-07 -2213.3362 -2213.3362 -3383.5006 3383.5006 2460 4.0478259e-07 -2213.3367 -2213.3367 -3383.3812 3383.3812 2470 1.0449163e-07 -2213.3367 -2213.3367 -3383.4255 3383.4255 2480 4.4169558e-07 -2213.3367 -2213.3367 -3383.5067 3383.5067 2490 2.6697089e-07 -2213.3365 -2213.3365 -3383.5605 3383.5605 2500 1.446647e-07 -2213.3365 -2213.3365 -3383.4447 3383.4447 2510 8.1367713e-07 -2213.3362 -2213.3362 -3383.3504 3383.3504 2520 1.1151972e-08 -2213.3358 -2213.3358 -3383.4701 3383.4701 2530 3.5350497e-07 -2213.3357 -2213.3357 -3383.674 3383.674 2534 9.5063105e-07 -2213.3353 -2213.3353 -3383.5696 3383.5696 Loop time of 0.193662 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33717267 -2213.33544921 -2213.33532729 Force two-norm initial, final = 0.0177475 0.0595529 Force max component initial, final = 0.0016626 0.00688675 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.174728 (90.2234) Neigh time (%) = 0 (0) Comm time (%) = 0.00158739 (0.819671) Outpt time (%) = 0.00137925 (0.712195) Other time (%) = 0.0159669 (8.24472) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.3246 -2213.3246 -3382.2981 3382.2981 2210 6.3194393e-11 -2213.3246 -2213.3246 -3382.2981 3382.2981 2220 6.9287676e-10 -2213.3246 -2213.3246 -3382.2984 3382.2984 2230 3.3828429e-09 -2213.3246 -2213.3246 -3382.2997 3382.2997 2240 1.8174212e-08 -2213.3246 -2213.3246 -3382.3069 3382.3069 2250 7.1321133e-08 -2213.3246 -2213.3246 -3382.333 3382.333 2260 3.3560891e-07 -2213.3248 -2213.3248 -3382.4634 3382.4634 2270 1.1599313e-06 -2213.3253 -2213.3253 -3382.8899 3382.8899 2280 3.7393542e-06 -2213.327 -2213.327 -3384.3648 3384.3648 2290 7.9178309e-06 -2213.3302 -2213.3302 -3384.8025 3384.8025 2300 1.2218608e-05 -2213.3353 -2213.3353 -3383.2318 3383.2318 2310 7.252317e-07 -2213.337 -2213.337 -3382.9836 3382.9836 2320 1.5739686e-07 -2213.3372 -2213.3372 -3383.2143 3383.2143 2330 2.4181007e-07 -2213.3373 -2213.3373 -3383.24 3383.24 2340 4.1961648e-08 -2213.3373 -2213.3373 -3383.1839 3383.1839 2350 1.1280727e-08 -2213.3373 -2213.3373 -3383.229 3383.229 2360 4.3049188e-08 -2213.3374 -2213.3374 -3383.2913 3383.2913 2363 5.5096284e-08 -2213.3374 -2213.3374 -3383.3597 3383.3597 Loop time of 0.158804 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3245983 -2213.33737292 -2213.33737628 Force two-norm initial, final = 0.270492 0.00563105 Force max component initial, final = 0.0261 0.000501524 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.143062 (90.0871) Neigh time (%) = 0 (0) Comm time (%) = 0.00131345 (0.827088) Outpt time (%) = 0.00105262 (0.662841) Other time (%) = 0.013376 (8.42296) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2363 0 -2213.3374 -2213.3374 -3383.3597 3383.3597 2364 2.2207779e-16 -2213.3374 -2213.3374 -3383.3597 3383.3597 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 = -2213.33737628 -2213.33737628 -2213.33737628 Force two-norm initial, final = 0.00563105 0.00563105 Force max component initial, final = 0.000501524 0.000501524 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184464 (88.6864) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.767996) Outpt time (%) = 0 (0) Other time (%) = 0.000219345 (10.5456) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.3232 -2213.3232 -3386.1307 3386.1307 2260 1.6348018e-10 -2213.3232 -2213.3232 -3386.1306 3386.1306 2270 1.7923965e-09 -2213.3232 -2213.3232 -3386.1302 3386.1302 2280 8.7502718e-09 -2213.3232 -2213.3232 -3386.1285 3386.1285 2290 4.6987876e-08 -2213.3232 -2213.3232 -3386.1187 3386.1187 2300 1.8406352e-07 -2213.3233 -2213.3233 -3386.0833 3386.0833 2310 8.5816904e-07 -2213.3237 -2213.3237 -3385.9047 3385.9047 2320 2.8611486e-06 -2213.3249 -2213.3249 -3385.3047 3385.3047 2330 7.0731523e-06 -2213.3279 -2213.3279 -3383.242 3383.242 2340 8.7004502e-06 -2213.3312 -2213.3312 -3385.2753 3385.2753 2350 1.0339899e-05 -2213.3353 -2213.3353 -3383.5426 3383.5426 2360 2.2741508e-06 -2213.3367 -2213.3367 -3382.9398 3382.9398 2370 2.7212495e-07 -2213.3369 -2213.3369 -3383.2332 3383.2332 2380 6.0727748e-07 -2213.3371 -2213.3371 -3383.3834 3383.3834 2390 8.2220246e-08 -2213.3373 -2213.3373 -3383.2167 3383.2167 2400 8.7460057e-09 -2213.3373 -2213.3373 -3383.4337 3383.4337 2410 4.7159775e-08 -2213.3373 -2213.3373 -3383.3972 3383.3972 2420 7.8740666e-08 -2213.3374 -2213.3374 -3383.5757 3383.5757 2430 9.0696212e-10 -2213.3374 -2213.3374 -3383.4408 3383.4408 Loop time of 0.175577 on 1 procs for 180 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32316369 -2213.3373865 -2213.33738669 Force two-norm initial, final = 0.435059 0.00521104 Force max component initial, final = 0.0495839 0.000411504 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 180 180 Pair time (%) = 0.158155 (90.0773) Neigh time (%) = 0 (0) Comm time (%) = 0.00145769 (0.830228) Outpt time (%) = 0.00111961 (0.637676) Other time (%) = 0.0148447 (8.45478) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2430 0 -2213.3374 -2213.3374 -3383.4408 3383.4408 2431 1.9018439e-16 -2213.3374 -2213.3374 -3383.4408 3383.4408 Loop time of 0.00207615 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738669 -2213.33738669 -2213.33738669 Force two-norm initial, final = 0.00521104 0.00521104 Force max component initial, final = 0.000411504 0.000411504 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (89.056) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.711989) Outpt time (%) = 0 (0) Other time (%) = 0.000212431 (10.232) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2200 0 -2213.2622 -2213.2622 -3390.6318 3390.6318 2210 1.7557626e-10 -2213.2622 -2213.2622 -3390.6318 3390.6318 2220 1.9251035e-09 -2213.2622 -2213.2622 -3390.6318 3390.6318 2230 9.4000981e-09 -2213.2622 -2213.2622 -3390.6321 3390.6321 2240 5.0533485e-08 -2213.2622 -2213.2622 -3390.6336 3390.6336 2250 1.9880015e-07 -2213.2623 -2213.2623 -3390.6391 3390.6391 2260 9.4646322e-07 -2213.2628 -2213.2628 -3390.6661 3390.6661 2270 3.4162071e-06 -2213.2643 -2213.2643 -3390.7469 3390.7469 2280 1.2864036e-05 -2213.2699 -2213.2699 -3390.8814 3390.8814 2290 2.5044409e-05 -2213.2802 -2213.2802 -3389.8892 3389.8892 2300 7.4252649e-05 -2213.3136 -2213.3136 -3385.3831 3385.3831 2310 6.8045844e-07 -2213.3344 -2213.3344 -3382.7109 3382.7109 2320 2.3539354e-07 -2213.3353 -2213.3353 -3382.9277 3382.9277 2330 9.4494297e-07 -2213.3359 -2213.3359 -3383.0004 3383.0004 2340 1.6466153e-06 -2213.337 -2213.337 -3383.3569 3383.3569 2350 2.856673e-08 -2213.3371 -2213.3371 -3383.4785 3383.4785 2360 7.5890215e-09 -2213.3371 -2213.3371 -3383.4158 3383.4158 2370 3.9935124e-08 -2213.3372 -2213.3372 -3383.4757 3383.4757 2378 9.6896813e-08 -2213.3372 -2213.3372 -3383.4435 3383.4435 Loop time of 0.17282 on 1 procs for 178 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26219973 -2213.33722105 -2213.33723122 Force two-norm initial, final = 0.450866 0.00943025 Force max component initial, final = 0.0607719 0.000856796 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 178 178 Pair time (%) = 0.156644 (90.64) Neigh time (%) = 0 (0) Comm time (%) = 0.0014348 (0.830229) Outpt time (%) = 0.00112176 (0.649091) Other time (%) = 0.0136194 (7.88069) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2378 0 -2213.3372 -2213.3372 -3383.4435 3383.4435 2380 7.2749272e-15 -2213.3372 -2213.3372 -3383.4435 3383.4435 2390 3.8171173e-13 -2213.3372 -2213.3372 -3383.4435 3383.4435 2400 3.5801066e-12 -2213.3372 -2213.3372 -3383.4435 3383.4435 2410 1.654901e-11 -2213.3372 -2213.3372 -3383.4435 3383.4435 2420 8.8186298e-11 -2213.3372 -2213.3372 -3383.4437 3383.4437 2430 3.4150094e-10 -2213.3372 -2213.3372 -3383.4442 3383.4442 2440 1.6559902e-09 -2213.3372 -2213.3372 -3383.4468 3383.4468 2450 6.1837376e-09 -2213.3372 -2213.3372 -3383.4545 3383.4545 2460 2.8284241e-08 -2213.3372 -2213.3372 -3383.4705 3383.4705 2470 1.0523647e-07 -2213.3372 -2213.3372 -3383.4629 3383.4629 2480 6.3282115e-07 -2213.3369 -2213.3369 -3383.4887 3383.4887 2490 1.3837192e-07 -2213.3365 -2213.3365 -3383.3838 3383.3838 2500 1.6611128e-06 -2213.337 -2213.337 -3383.7721 3383.7721 2510 6.0441629e-07 -2213.3367 -2213.3367 -3384.1521 3384.1521 2520 1.0025056e-08 -2213.3371 -2213.3371 -3383.216 3383.216 2530 3.653276e-08 -2213.3371 -2213.3371 -3383.4596 3383.4596 2540 2.0544129e-07 -2213.337 -2213.337 -3383.5376 3383.5376 2550 5.5203451e-09 -2213.337 -2213.337 -3383.2934 3383.2934 2560 8.0287408e-08 -2213.337 -2213.337 -3383.431 3383.431 2570 4.5315592e-07 -2213.3368 -2213.3368 -3383.4005 3383.4005 2578 1.3525202e-07 -2213.3359 -2213.3359 -3383.3922 3383.3922 Loop time of 0.198219 on 1 procs for 200 steps with 511 atoms Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = -2213.33723122 -2213.3359111 -2213.33594886 Force two-norm initial, final = 0.0161147 0.0731073 Force max component initial, final = 0.00146062 0.00455653 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 200 200 Pair time (%) = 0.178993 (90.3008) Neigh time (%) = 0 (0) Comm time (%) = 0.00184774 (0.932174) Outpt time (%) = 0.00139332 (0.702919) Other time (%) = 0.0159845 (8.06409) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.3227 -2213.3227 -3386.3184 3386.3184 2260 1.9449216e-10 -2213.3227 -2213.3227 -3386.3184 3386.3184 2270 2.132421e-09 -2213.3227 -2213.3227 -3386.3182 3386.3182 2280 1.041039e-08 -2213.3227 -2213.3227 -3386.3174 3386.3174 2290 5.590806e-08 -2213.3228 -2213.3228 -3386.313 3386.313 2300 2.1906846e-07 -2213.3229 -2213.3229 -3386.297 3386.297 2310 1.0231986e-06 -2213.3233 -2213.3233 -3386.2153 3386.2153 2320 3.4252619e-06 -2213.3248 -2213.3248 -3385.9275 3385.9275 2330 8.5545872e-06 -2213.3285 -2213.3285 -3384.7184 3384.7184 2340 5.2122274e-06 -2213.3305 -2213.3305 -3385.0647 3385.0647 2350 9.6390008e-06 -2213.3343 -2213.3343 -3383.2393 3383.2393 2360 1.317643e-06 -2213.3367 -2213.3367 -3381.8413 3381.8413 2370 2.1871348e-07 -2213.3372 -2213.3372 -3382.9938 3382.9938 2380 2.5433722e-07 -2213.3373 -2213.3373 -3383.2677 3383.2677 2390 3.9903952e-08 -2213.3373 -2213.3373 -3383.3029 3383.3029 2400 8.6505404e-09 -2213.3374 -2213.3374 -3383.3259 3383.3259 2410 2.8348834e-08 -2213.3374 -2213.3374 -3383.3548 3383.3548 2414 3.7212075e-08 -2213.3374 -2213.3374 -3383.375 3383.375 Loop time of 0.160108 on 1 procs for 164 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32272122 -2213.33737159 -2213.33737486 Force two-norm initial, final = 0.474533 0.00582722 Force max component initial, final = 0.0642965 0.00060412 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 164 164 Pair time (%) = 0.143911 (89.8834) Neigh time (%) = 0 (0) Comm time (%) = 0.00133014 (0.830775) Outpt time (%) = 0.00104809 (0.654613) Other time (%) = 0.0138192 (8.63118) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2414 0 -2213.3374 -2213.3374 -3383.375 3383.375 2415 2.378205e-16 -2213.3374 -2213.3374 -3383.375 3383.375 Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737486 -2213.33737486 -2213.33737486 Force two-norm initial, final = 0.00582722 0.00582722 Force max component initial, final = 0.00060412 0.00060412 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184894 (89.1072) Neigh time (%) = 0 (0) Comm time (%) = 1.43051e-05 (0.689417) Outpt time (%) = 0 (0) Other time (%) = 0.000211716 (10.2034) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.3112 -2213.3112 -3388.7247 3388.7247 2310 1.4841884e-10 -2213.3112 -2213.3112 -3388.7246 3388.7246 2320 1.6273165e-09 -2213.3112 -2213.3112 -3388.7243 3388.7243 2330 7.9455339e-09 -2213.3112 -2213.3112 -3388.7229 3388.7229 2340 4.2700568e-08 -2213.3112 -2213.3112 -3388.715 3388.715 2350 1.6776615e-07 -2213.3113 -2213.3113 -3388.6865 3388.6865 2360 7.939829e-07 -2213.3116 -2213.3116 -3388.5434 3388.5434 2370 2.7966731e-06 -2213.3129 -2213.3129 -3388.0738 3388.0738 2380 9.345898e-06 -2213.317 -2213.317 -3386.4597 3386.4597 2390 1.2345955e-05 -2213.322 -2213.322 -3386.9217 3386.9217 2400 2.0342971e-05 -2213.331 -2213.331 -3384.0606 3384.0606 2410 7.9425857e-07 -2213.336 -2213.336 -3383.8302 3383.8302 2420 3.1279053e-07 -2213.3365 -2213.3365 -3382.1215 3382.1215 2430 7.2917132e-07 -2213.3369 -2213.3369 -3383.032 3383.032 2440 1.3244546e-07 -2213.3373 -2213.3373 -3384.3447 3384.3447 2450 3.4136396e-08 -2213.3373 -2213.3373 -3383.0521 3383.0521 2460 1.0179592e-07 -2213.3374 -2213.3374 -3383.2874 3383.2874 2470 6.5315893e-11 -2213.3374 -2213.3374 -3383.4757 3383.4757 2478 4.8461198e-09 -2213.3374 -2213.3374 -3383.3923 3383.3923 Loop time of 0.173743 on 1 procs for 178 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3111573 -2213.33736739 -2213.33736779 Force two-norm initial, final = 0.414534 0.00823404 Force max component initial, final = 0.0572001 0.000810427 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 178 178 Pair time (%) = 0.156784 (90.2392) Neigh time (%) = 0 (0) Comm time (%) = 0.00142622 (0.820879) Outpt time (%) = 0.0011127 (0.640428) Other time (%) = 0.0144198 (8.2995) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2478 0 -2213.3374 -2213.3374 -3383.3923 3383.3923 2479 4.7484543e-16 -2213.3374 -2213.3374 -3383.3923 3383.3923 Loop time of 0.00208998 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736779 -2213.33736779 -2213.33736779 Force two-norm initial, final = 0.00823404 0.00823404 Force max component initial, final = 0.000810427 0.000810427 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185275 (88.6493) Neigh time (%) = 0 (0) Comm time (%) = 1.50204e-05 (0.718686) Outpt time (%) = 0 (0) Other time (%) = 0.000222206 (10.632) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2250 0 -2213.2972 -2213.2972 -3390.057 3390.057 2260 1.3458787e-10 -2213.2972 -2213.2972 -3390.057 3390.057 2270 1.4756736e-09 -2213.2972 -2213.2972 -3390.057 3390.057 2280 7.2052902e-09 -2213.2972 -2213.2972 -3390.057 3390.057 2290 3.8726042e-08 -2213.2972 -2213.2972 -3390.0568 3390.0568 2300 1.5222926e-07 -2213.2973 -2213.2973 -3390.0563 3390.0563 2310 7.2185616e-07 -2213.2976 -2213.2976 -3390.0517 3390.0517 2320 2.572257e-06 -2213.2988 -2213.2988 -3390.0088 3390.0088 2330 9.2540434e-06 -2213.3028 -2213.3028 -3389.3501 3389.3501 2340 1.9146122e-05 -2213.3105 -2213.3105 -3386.1443 3386.1443 2350 4.236953e-05 -2213.3292 -2213.3292 -3384.6111 3384.6111 2360 5.5272296e-07 -2213.3358 -2213.3358 -3383.441 3383.441 2370 1.9406213e-06 -2213.3367 -2213.3367 -3385.2556 3385.2556 2380 1.4537906e-08 -2213.3371 -2213.3371 -3383.6235 3383.6235 2390 1.0634859e-07 -2213.3372 -2213.3372 -3383.1961 3383.1961 2400 4.6491602e-10 -2213.3373 -2213.3373 -3383.5052 3383.5052 2410 3.772971e-08 -2213.3373 -2213.3373 -3383.322 3383.322 2415 6.0046934e-08 -2213.3373 -2213.3373 -3383.4102 3383.4102 Loop time of 0.160708 on 1 procs for 165 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.29720275 -2213.3373291 -2213.33733399 Force two-norm initial, final = 0.394746 0.00900442 Force max component initial, final = 0.0477873 0.000741793 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 165 165 Pair time (%) = 0.145253 (90.3832) Neigh time (%) = 0 (0) Comm time (%) = 0.00132442 (0.824113) Outpt time (%) = 0.00104976 (0.653208) Other time (%) = 0.0130808 (8.13951) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2415 0 -2213.3373 -2213.3373 -3383.4102 3383.4102 2416 6.2927619e-16 -2213.3373 -2213.3373 -3383.4102 3383.4102 Loop time of 0.00207782 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33733399 -2213.33733399 -2213.33733399 Force two-norm initial, final = 0.00947889 0.00947889 Force max component initial, final = 0.000882408 0.000882408 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.0878) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.780264) Outpt time (%) = 0 (0) Other time (%) = 0.000210524 (10.132) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.3262 -2213.3262 -3388.5424 3388.5424 2310 1.1459355e-10 -2213.3262 -2213.3262 -3388.5424 3388.5424 2320 1.2564098e-09 -2213.3262 -2213.3262 -3388.5419 3388.5419 2330 6.1337549e-09 -2213.3262 -2213.3262 -3388.54 3388.54 2340 3.2941254e-08 -2213.3262 -2213.3262 -3388.5296 3388.5296 2350 1.2908186e-07 -2213.3263 -2213.3263 -3388.4918 3388.4918 2360 6.030349e-07 -2213.3266 -2213.3266 -3388.3006 3388.3006 2370 2.0188522e-06 -2213.3274 -2213.3274 -3387.6523 3387.6523 2380 4.9898249e-06 -2213.3296 -2213.3296 -3385.1378 3385.1378 2390 5.1157526e-06 -2213.3315 -2213.3315 -3384.741 3384.741 2400 9.5793635e-06 -2213.3356 -2213.3356 -3383.7232 3383.7232 2410 9.5171272e-07 -2213.3363 -2213.3363 -3385.0439 3385.0439 2420 3.3892873e-07 -2213.3371 -2213.3371 -3382.8168 3382.8168 2430 2.8212475e-08 -2213.3371 -2213.3371 -3383.2647 3383.2647 2440 1.5487794e-07 -2213.3372 -2213.3372 -3382.9122 3382.9122 2450 2.7651938e-07 -2213.3374 -2213.3374 -3383.0969 3383.0969 2460 2.1612994e-10 -2213.3374 -2213.3374 -3383.4194 3383.4194 2463 8.1645801e-10 -2213.3374 -2213.3374 -3383.4324 3383.4324 Loop time of 0.159688 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32618909 -2213.33737617 -2213.33737631 Force two-norm initial, final = 0.364247 0.00508033 Force max component initial, final = 0.042781 0.000503257 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.144209 (90.307) Neigh time (%) = 0 (0) Comm time (%) = 0.00132465 (0.829526) Outpt time (%) = 0.00109053 (0.682911) Other time (%) = 0.0130634 (8.1806) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2463 0 -2213.3374 -2213.3374 -3383.4324 3383.4324 2464 1.8076324e-16 -2213.3374 -2213.3374 -3383.4324 3383.4324 Loop time of 0.00207806 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737631 -2213.33737631 -2213.33737631 Force two-norm initial, final = 0.00508033 0.00508033 Force max component initial, final = 0.000503257 0.000503257 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0018487 (88.9628) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.757228) Outpt time (%) = 0 (0) Other time (%) = 0.000213623 (10.2799) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.3217 -2213.3217 -3387.0508 3387.0508 2360 9.2248534e-11 -2213.3217 -2213.3217 -3387.0508 3387.0508 2370 1.0114372e-09 -2213.3217 -2213.3217 -3387.0507 3387.0507 2380 4.9382367e-09 -2213.3217 -2213.3217 -3387.0504 3387.0504 2390 2.6533337e-08 -2213.3217 -2213.3217 -3387.0485 3387.0485 2400 1.041563e-07 -2213.3218 -2213.3218 -3387.0417 3387.0417 2410 4.9097853e-07 -2213.322 -2213.322 -3387.0068 3387.0068 2420 1.700495e-06 -2213.3228 -2213.3228 -3386.8785 3386.8785 2430 5.1917418e-06 -2213.3251 -2213.3251 -3386.1836 3386.1836 2440 5.9136162e-06 -2213.3275 -2213.3275 -3384.7727 3384.7727 2450 1.5067668e-05 -2213.3339 -2213.3339 -3384.0218 3384.0218 2460 5.170719e-07 -2213.337 -2213.337 -3383.1647 3383.1647 2470 1.1807098e-07 -2213.3371 -2213.3371 -3383.0262 3383.0262 2480 2.6677626e-07 -2213.3372 -2213.3372 -3383.1645 3383.1645 2490 2.9311492e-08 -2213.3373 -2213.3373 -3383.3213 3383.3213 2500 5.4207478e-09 -2213.3373 -2213.3373 -3383.335 3383.335 2510 4.0544455e-08 -2213.3374 -2213.3374 -3383.3492 3383.3492 2520 5.2703754e-08 -2213.3374 -2213.3374 -3383.4271 3383.4271 2521 5.4987389e-08 -2213.3374 -2213.3374 -3383.4127 3383.4127 Loop time of 0.167444 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32170147 -2213.33738465 -2213.33738701 Force two-norm initial, final = 0.32681 0.00355563 Force max component initial, final = 0.0748899 0.000325977 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.151167 (90.2791) Neigh time (%) = 0 (0) Comm time (%) = 0.00141239 (0.843501) Outpt time (%) = 0.00112247 (0.670358) Other time (%) = 0.0137422 (8.20705) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2521 0 -2213.3374 -2213.3374 -3383.4127 3383.4127 2522 8.8544268e-17 -2213.3374 -2213.3374 -3383.4127 3383.4127 Loop time of 0.0020771 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738701 -2213.33738701 -2213.33738701 Force two-norm initial, final = 0.00355563 0.00355563 Force max component initial, final = 0.000325977 0.000325977 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184798 (88.9692) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.769054) Outpt time (%) = 0 (0) Other time (%) = 0.000213146 (10.2617) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2300 0 -2213.317 -2213.317 -3387.4416 3387.4416 2310 1.3416778e-10 -2213.317 -2213.317 -3387.4416 3387.4416 2320 1.4710093e-09 -2213.317 -2213.317 -3387.4415 3387.4415 2330 7.1811625e-09 -2213.317 -2213.317 -3387.4412 3387.4412 2340 3.855799e-08 -2213.317 -2213.317 -3387.4395 3387.4395 2350 1.5098451e-07 -2213.3171 -2213.3171 -3387.4332 3387.4332 2360 7.0258459e-07 -2213.3174 -2213.3174 -3387.3997 3387.3997 2370 2.3262578e-06 -2213.3184 -2213.3184 -3387.2617 3387.2617 2380 5.4721393e-06 -2213.3207 -2213.3207 -3386.3687 3386.3687 2390 5.3851266e-06 -2213.3229 -2213.3229 -3385.0727 3385.0727 2400 1.4938753e-05 -2213.3305 -2213.3305 -3385.2021 3385.2021 2410 1.529108e-06 -2213.3351 -2213.3351 -3382.9092 3382.9092 2420 2.6731214e-07 -2213.3353 -2213.3353 -3383.4275 3383.4275 2430 9.3378266e-07 -2213.3357 -2213.3357 -3383.9308 3383.9308 2440 7.1509385e-09 -2213.3368 -2213.3368 -3383.7202 3383.7202 2450 5.7182224e-07 -2213.3371 -2213.3371 -3383.6995 3383.6995 2460 5.842727e-09 -2213.3371 -2213.3371 -3383.5506 3383.5506 2470 7.8252829e-08 -2213.3372 -2213.3372 -3383.554 3383.554 2480 3.1249013e-07 -2213.3373 -2213.3373 -3383.4678 3383.4678 2486 2.0804974e-09 -2213.3374 -2213.3374 -3383.3817 3383.3817 Loop time of 0.183218 on 1 procs for 186 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31698797 -2213.33737227 -2213.33737279 Force two-norm initial, final = 0.39413 0.00721557 Force max component initial, final = 0.041311 0.000601206 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 186 186 Pair time (%) = 0.167056 (91.1787) Neigh time (%) = 0 (0) Comm time (%) = 0.00152612 (0.832952) Outpt time (%) = 0.00121427 (0.662744) Other time (%) = 0.0134218 (7.32558) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2486 0 -2213.3374 -2213.3374 -3383.3817 3383.3817 2487 3.6464283e-16 -2213.3374 -2213.3374 -3383.3817 3383.3817 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 = -2213.33737279 -2213.33737279 -2213.33737279 Force two-norm initial, final = 0.00721557 0.00721557 Force max component initial, final = 0.000601206 0.000601206 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00191689 (90.1649) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.740159) Outpt time (%) = 0 (0) Other time (%) = 0.000193357 (9.09499) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.3187 -2213.3187 -3389.1399 3389.1399 2360 1.0338777e-10 -2213.3187 -2213.3187 -3389.1399 3389.1399 2370 1.1335668e-09 -2213.3187 -2213.3187 -3389.1397 3389.1397 2380 5.5344818e-09 -2213.3187 -2213.3187 -3389.1387 3389.1387 2390 2.973488e-08 -2213.3187 -2213.3187 -3389.1332 3389.1332 2400 1.1671239e-07 -2213.3188 -2213.3188 -3389.1133 3389.1133 2410 5.4955688e-07 -2213.319 -2213.319 -3389.0117 3389.0117 2420 1.9055207e-06 -2213.3199 -2213.3199 -3388.652 3388.652 2430 6.0451627e-06 -2213.3225 -2213.3225 -3386.977 3386.977 2440 1.1023526e-05 -2213.3269 -2213.3269 -3384.9647 3384.9647 2450 1.8866619e-05 -2213.3351 -2213.3351 -3383.8474 3383.8474 2460 7.7978065e-07 -2213.3362 -2213.3362 -3383.4672 3383.4672 2470 2.1560461e-07 -2213.3365 -2213.3365 -3382.9423 3382.9423 2480 7.3774023e-07 -2213.3369 -2213.3369 -3382.9327 3382.9327 2490 1.0238952e-08 -2213.3374 -2213.3374 -3383.5334 3383.5334 2500 7.9121808e-09 -2213.3374 -2213.3374 -3383.5102 3383.5102 2508 2.61307e-08 -2213.3374 -2213.3374 -3383.4485 3383.4485 Loop time of 0.154269 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31870585 -2213.33737742 -2213.33737958 Force two-norm initial, final = 0.345979 0.00600779 Force max component initial, final = 0.0441688 0.000621229 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.139204 (90.2346) Neigh time (%) = 0 (0) Comm time (%) = 0.0012908 (0.836719) Outpt time (%) = 0.000980139 (0.635344) Other time (%) = 0.012794 (8.29332) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2508 0 -2213.3374 -2213.3374 -3383.4485 3383.4485 2509 2.5278756e-16 -2213.3374 -2213.3374 -3383.4485 3383.4485 Loop time of 0.00208092 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737958 -2213.33737958 -2213.33737958 Force two-norm initial, final = 0.00600779 0.00600779 Force max component initial, final = 0.000621229 0.000621229 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184989 (88.8978) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.767644) Outpt time (%) = 0 (0) Other time (%) = 0.000215054 (10.3346) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.3173 -2213.3173 -3388.0169 3388.0169 2410 8.0856983e-11 -2213.3173 -2213.3173 -3388.0169 3388.0169 2420 8.8653961e-10 -2213.3173 -2213.3173 -3388.0168 3388.0168 2430 4.3285402e-09 -2213.3173 -2213.3173 -3388.0164 3388.0164 2440 2.3259392e-08 -2213.3173 -2213.3173 -3388.0144 3388.0144 2450 9.135407e-08 -2213.3173 -2213.3173 -3388.0071 3388.0071 2460 4.3140809e-07 -2213.3176 -2213.3176 -3387.9692 3387.9692 2470 1.5125921e-06 -2213.3182 -2213.3182 -3387.8248 3387.8248 2480 4.9717422e-06 -2213.3204 -2213.3204 -3386.9725 3386.9725 2490 9.2052465e-06 -2213.3242 -2213.3242 -3384.9188 3384.9188 2500 2.0386783e-05 -2213.3332 -2213.3332 -3384.4347 3384.4347 2510 6.9307453e-07 -2213.3366 -2213.3366 -3384.0742 3384.0742 2520 1.8287983e-07 -2213.3368 -2213.3368 -3383.1009 3383.1009 2530 4.4748412e-07 -2213.3371 -2213.3371 -3382.8812 3382.8812 2540 3.784417e-08 -2213.3373 -2213.3373 -3383.3334 3383.3334 2550 1.3266818e-08 -2213.3373 -2213.3373 -3383.2675 3383.2675 2560 8.4333552e-08 -2213.3373 -2213.3373 -3383.2912 3383.2912 2564 9.3054571e-08 -2213.3374 -2213.3374 -3383.358 3383.358 Loop time of 0.160636 on 1 procs for 164 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31729212 -2213.33736439 -2213.33736977 Force two-norm initial, final = 0.305967 0.00678066 Force max component initial, final = 0.0386335 0.000641058 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 164 164 Pair time (%) = 0.145033 (90.2864) Neigh time (%) = 0 (0) Comm time (%) = 0.00134945 (0.840065) Outpt time (%) = 0.00105786 (0.658546) Other time (%) = 0.0131962 (8.21498) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2564 0 -2213.3374 -2213.3374 -3383.358 3383.358 2565 3.2201013e-16 -2213.3374 -2213.3374 -3383.358 3383.358 Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736977 -2213.33736977 -2213.33736977 Force two-norm initial, final = 0.00678066 0.00678066 Force max component initial, final = 0.000641058 0.000641058 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184798 (89.0612) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.815811) Outpt time (%) = 0 (0) Other time (%) = 0.000210047 (10.1229) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2350 0 -2213.3226 -2213.3226 -3382.5774 3382.5774 2360 1.1127017e-10 -2213.3226 -2213.3226 -3382.5774 3382.5774 2370 1.2199624e-09 -2213.3226 -2213.3226 -3382.5776 3382.5776 2380 5.9556255e-09 -2213.3226 -2213.3226 -3382.5784 3382.5784 2390 3.1978542e-08 -2213.3226 -2213.3226 -3382.5827 3382.5827 2400 1.2522933e-07 -2213.3226 -2213.3226 -3382.5984 3382.5984 2410 5.8304088e-07 -2213.3229 -2213.3229 -3382.6765 3382.6765 2420 1.9337547e-06 -2213.3238 -2213.3238 -3382.9283 3382.9283 2430 4.8242876e-06 -2213.3258 -2213.3258 -3383.8162 3383.8162 2440 7.7516637e-06 -2213.3287 -2213.3287 -3384.7569 3384.7569 2450 1.1427322e-05 -2213.3344 -2213.3344 -3383.9559 3383.9559 2460 2.6520877e-08 -2213.3352 -2213.3352 -3383.41 3383.41 2470 5.3679194e-07 -2213.3355 -2213.3355 -3383.5605 3383.5605 2480 1.7254484e-06 -2213.3362 -2213.3362 -3383.532 3383.532 2490 4.4344709e-09 -2213.3365 -2213.3365 -3383.5163 3383.5163 2500 1.9076895e-07 -2213.3366 -2213.3366 -3383.5228 3383.5228 2510 9.9908914e-07 -2213.3371 -2213.3371 -3383.4422 3383.4422 2520 8.723287e-09 -2213.3374 -2213.3374 -3383.4229 3383.4229 2522 2.3927902e-08 -2213.3374 -2213.3374 -3383.4007 3383.4007 Loop time of 0.166645 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3225722 -2213.33736419 -2213.33736597 Force two-norm initial, final = 0.358926 0.00896467 Force max component initial, final = 0.03174 0.000840204 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.150999 (90.6112) Neigh time (%) = 0 (0) Comm time (%) = 0.00137758 (0.826657) Outpt time (%) = 0.0011332 (0.68001) Other time (%) = 0.0131352 (7.88214) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2522 0 -2213.3374 -2213.3374 -3383.4007 3383.4007 2523 5.6025163e-16 -2213.3374 -2213.3374 -3383.4007 3383.4007 Loop time of 0.00207901 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736597 -2213.33736597 -2213.33736597 Force two-norm initial, final = 0.00894393 0.00894393 Force max component initial, final = 0.000902005 0.000902005 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185275 (89.117) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.756881) Outpt time (%) = 0 (0) Other time (%) = 0.000210524 (10.1261) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2400 0 -2213.3232 -2213.3232 -3385.5243 3385.5243 2410 1.0051426e-10 -2213.3232 -2213.3232 -3385.5243 3385.5243 2420 1.1020271e-09 -2213.3232 -2213.3232 -3385.5242 3385.5242 2430 5.3797152e-09 -2213.3232 -2213.3232 -3385.5236 3385.5236 2440 2.8881108e-08 -2213.3232 -2213.3232 -3385.5206 3385.5206 2450 1.1302619e-07 -2213.3233 -2213.3233 -3385.5097 3385.5097 2460 5.2446001e-07 -2213.3235 -2213.3235 -3385.4535 3385.4535 2470 1.7171653e-06 -2213.3243 -2213.3243 -3385.252 3385.252 2480 3.8387435e-06 -2213.3259 -2213.3259 -3384.3869 3384.3869 2490 5.0720307e-06 -2213.3279 -2213.3279 -3384.5887 3384.5887 2500 1.0908565e-05 -2213.3329 -2213.3329 -3383.6054 3383.6054 2510 1.7485876e-06 -2213.3363 -2213.3363 -3383.3604 3383.3604 2520 3.6891483e-07 -2213.3365 -2213.3365 -3383.3704 3383.3704 2530 1.1033838e-06 -2213.3368 -2213.3368 -3383.3698 3383.3698 2540 7.1458935e-08 -2213.3371 -2213.3371 -3383.3976 3383.3976 2550 1.8216164e-08 -2213.3372 -2213.3372 -3383.4386 3383.4386 2560 1.4999024e-07 -2213.3372 -2213.3372 -3383.4036 3383.4036 2570 2.4383164e-07 -2213.3374 -2213.3374 -3383.4545 3383.4545 2571 2.4623376e-07 -2213.3374 -2213.3374 -3383.4303 3383.4303 Loop time of 0.166089 on 1 procs for 171 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3232189 -2213.33736524 -2213.33737761 Force two-norm initial, final = 0.341138 0.00590665 Force max component initial, final = 0.0310609 0.000757752 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 171 171 Pair time (%) = 0.150694 (90.7311) Neigh time (%) = 0 (0) Comm time (%) = 0.00138664 (0.834879) Outpt time (%) = 0.00113297 (0.682143) Other time (%) = 0.0128751 (7.75191) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2571 0 -2213.3374 -2213.3374 -3383.4303 3383.4303 2572 2.4434808e-16 -2213.3374 -2213.3374 -3383.4303 3383.4303 Loop time of 0.00206184 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737761 -2213.33737761 -2213.33737761 Force two-norm initial, final = 0.00590665 0.00590665 Force max component initial, final = 0.000757752 0.000757752 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184774 (89.6161) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.774746) Outpt time (%) = 0 (0) Other time (%) = 0.000198126 (9.60916) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2450 0 -2213.3302 -2213.3302 -3385.3074 3385.3074 2460 8.391659e-11 -2213.3302 -2213.3302 -3385.3074 3385.3074 2470 9.2005339e-10 -2213.3302 -2213.3302 -3385.3071 3385.3071 2480 4.4914375e-09 -2213.3302 -2213.3302 -3385.3058 3385.3058 2490 2.4113454e-08 -2213.3302 -2213.3302 -3385.2989 3385.2989 2500 9.4394133e-08 -2213.3302 -2213.3302 -3385.2736 3385.2736 2510 4.3839981e-07 -2213.3304 -2213.3304 -3385.1458 3385.1458 2520 1.444251e-06 -2213.3311 -2213.3311 -3384.7107 3384.7107 2530 3.1980154e-06 -2213.3323 -2213.3323 -3383.1282 3383.1282 2540 3.4894466e-06 -2213.3336 -2213.3336 -3384.1752 3384.1752 2550 4.9143133e-06 -2213.3359 -2213.3359 -3382.5693 3382.5693 2560 1.0102387e-08 -2213.3366 -2213.3366 -3382.9187 3382.9187 2570 2.0745326e-07 -2213.3367 -2213.3367 -3383.5533 3383.5533 2580 5.3143643e-07 -2213.337 -2213.337 -3383.246 3383.246 2590 7.6188684e-08 -2213.3373 -2213.3373 -3383.3837 3383.3837 2600 2.5139254e-08 -2213.3373 -2213.3373 -3383.3894 3383.3894 2610 1.1209316e-07 -2213.3373 -2213.3373 -3383.4279 3383.4279 2620 8.5347701e-10 -2213.3373 -2213.3373 -3383.4172 3383.4172 2630 9.5006424e-09 -2213.3374 -2213.3374 -3383.3811 3383.3811 2633 1.6641542e-08 -2213.3374 -2213.3374 -3383.3921 3383.3921 Loop time of 0.180108 on 1 procs for 183 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33017571 -2213.33735673 -2213.33735833 Force two-norm initial, final = 0.311702 0.0060886 Force max component initial, final = 0.0264202 0.000360479 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 183 183 Pair time (%) = 0.162373 (90.1533) Neigh time (%) = 0 (0) Comm time (%) = 0.00147152 (0.81702) Outpt time (%) = 0.00119042 (0.66095) Other time (%) = 0.0150728 (8.36877) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2633 0 -2213.3374 -2213.3374 -3383.3921 3383.3921 2634 2.596337e-16 -2213.3374 -2213.3374 -3383.3921 3383.3921 Loop time of 0.0020771 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735833 -2213.33735833 -2213.33735833 Force two-norm initial, final = 0.0060886 0.0060886 Force max component initial, final = 0.000360479 0.000360479 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.1185) Neigh time (%) = 0 (0) Comm time (%) = 1.38283e-05 (0.665748) Outpt time (%) = 0 (0) Other time (%) = 0.000212193 (10.2158) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2400 0 -2212.7714 -2212.7714 -3607.3473 3607.3473 2410 9.6033204e-10 -2212.7714 -2212.7714 -3607.3471 3607.3471 2420 1.0529106e-08 -2212.7714 -2212.7714 -3607.3446 3607.3446 2430 5.1402508e-08 -2212.7714 -2212.7714 -3607.3338 3607.3338 2440 2.7604252e-07 -2212.7716 -2212.7716 -3607.2746 3607.2746 2450 1.0816009e-06 -2212.7721 -2212.7721 -3607.0584 3607.0584 2460 5.0483776e-06 -2212.7745 -2212.7745 -3605.9528 3605.9528 2470 1.6883933e-05 -2212.7818 -2212.7818 -3601.9979 3601.9979 2480 3.9866398e-05 -2212.7982 -2212.7982 -3582.8234 3582.8234 2490 3.1307387e-05 -2212.8083 -2212.8083 -3562.8257 3562.8257 2500 2.9524293e-05 -2212.8182 -2212.8182 -3539.3306 3539.3306 2510 1.2046174e-05 -2212.8165 -2212.8165 -3523.6558 3523.6558 2520 3.2857755e-06 -2212.8267 -2212.8267 -3533.2571 3533.2571 2530 1.7792116e-07 -2212.8268 -2212.8268 -3532.6418 3532.6418 2540 8.8877984e-07 -2212.827 -2212.827 -3534.9921 3534.9921 2550 5.0147601e-09 -2212.8272 -2212.8272 -3537.9791 3537.9791 2560 5.6656388e-08 -2212.8272 -2212.8272 -3538.3216 3538.3216 2569 9.167328e-09 -2212.8273 -2212.8273 -3538.6072 3538.6072 Loop time of 0.168044 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.77140124 -2212.82725186 -2212.82725293 Force two-norm initial, final = 1.05445 0.00945437 Force max component initial, final = 0.227922 0.00112315 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.15356 (91.3809) Neigh time (%) = 0 (0) Comm time (%) = 0.0013597 (0.809134) Outpt time (%) = 0.00104165 (0.619868) Other time (%) = 0.0120826 (7.19012) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2569 0 -2212.8273 -2212.8273 -3538.6072 3538.6072 2570 6.7870964e-16 -2212.8273 -2212.8273 -3538.6072 3538.6072 Loop time of 0.00228095 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82725293 -2212.82725293 -2212.82725293 Force two-norm initial, final = 0.00984417 0.00984417 Force max component initial, final = 0.00166573 0.00166573 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0020659 (90.5718) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.700324) Outpt time (%) = 0 (0) Other time (%) = 0.00019908 (8.72792) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2450 0 -2213.3114 -2213.3114 -3378.6913 3378.6913 2460 1.5315418e-10 -2213.3114 -2213.3114 -3378.6914 3378.6914 2470 1.6792017e-09 -2213.3114 -2213.3114 -3378.6927 3378.6927 2480 8.1981529e-09 -2213.3114 -2213.3114 -3378.6981 3378.6981 2490 4.4036165e-08 -2213.3114 -2213.3114 -3378.7279 3378.7279 2500 1.7271428e-07 -2213.3115 -2213.3115 -3378.8363 3378.8363 2510 8.0991296e-07 -2213.3119 -2213.3119 -3379.3776 3379.3776 2520 2.7699878e-06 -2213.3131 -2213.3131 -3381.1433 3381.1433 2530 8.0586606e-06 -2213.3164 -2213.3164 -3386.9099 3386.9099 2540 1.2214245e-05 -2213.3213 -2213.3213 -3385.0601 3385.0601 2550 1.9717208e-05 -2213.3304 -2213.3304 -3384.2799 3384.2799 2560 2.1551443e-06 -2213.3351 -2213.3351 -3383.3684 3383.3684 2570 5.8953831e-07 -2213.3354 -2213.3354 -3383.1394 3383.1394 2580 2.0931361e-06 -2213.3362 -2213.3362 -3383.1344 3383.1344 2590 1.1480022e-08 -2213.3372 -2213.3372 -3383.1303 3383.1303 2600 2.2102748e-08 -2213.3372 -2213.3372 -3383.6604 3383.6604 2610 1.1700084e-07 -2213.3373 -2213.3373 -3383.628 3383.628 2620 1.0027893e-08 -2213.3373 -2213.3373 -3383.4232 3383.4232 Loop time of 0.165882 on 1 procs for 170 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31138771 -2213.33734361 -2213.33734462 Force two-norm initial, final = 0.421095 0.00832061 Force max component initial, final = 0.0387123 0.000767029 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 170 170 Pair time (%) = 0.14991 (90.3715) Neigh time (%) = 0 (0) Comm time (%) = 0.00137663 (0.829885) Outpt time (%) = 0.00105238 (0.634415) Other time (%) = 0.0135429 (8.16418) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2620 0 -2213.3373 -2213.3373 -3383.4232 3383.4232 2621 4.8488257e-16 -2213.3373 -2213.3373 -3383.4232 3383.4232 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 = -2213.33734462 -2213.33734462 -2213.33734462 Force two-norm initial, final = 0.00832061 0.00832061 Force max component initial, final = 0.000767029 0.000767029 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184703 (89.4469) Neigh time (%) = 0 (0) Comm time (%) = 1.38283e-05 (0.669669) Outpt time (%) = 0 (0) Other time (%) = 0.000204086 (9.88339) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2500 0 -2213.3254 -2213.3254 -3382.3818 3382.3818 2510 8.9979616e-11 -2213.3254 -2213.3254 -3382.3819 3382.3819 2520 9.8656004e-10 -2213.3254 -2213.3254 -3382.3822 3382.3822 2530 4.8167967e-09 -2213.3254 -2213.3254 -3382.3836 3382.3836 2540 2.5880942e-08 -2213.3254 -2213.3254 -3382.3916 3382.3916 2550 1.0160709e-07 -2213.3255 -2213.3255 -3382.4206 3382.4206 2560 4.7908849e-07 -2213.3257 -2213.3257 -3382.5647 3382.5647 2570 1.6673366e-06 -2213.3264 -2213.3264 -3383.0276 3383.0276 2580 5.4290057e-06 -2213.3288 -2213.3288 -3384.4598 3384.4598 2590 8.878804e-06 -2213.3321 -2213.3321 -3383.429 3383.429 2600 9.2484761e-06 -2213.3356 -2213.3356 -3383.6085 3383.6085 2610 8.3438884e-07 -2213.3363 -2213.3363 -3384.4902 3384.4902 2620 4.6729308e-07 -2213.3368 -2213.3368 -3383.5701 3383.5701 2630 9.9807834e-08 -2213.3368 -2213.3368 -3383.416 3383.416 2640 5.1110853e-07 -2213.3371 -2213.3371 -3383.6917 3383.6917 2650 2.1988681e-08 -2213.3373 -2213.3373 -3383.3593 3383.3593 2660 2.0854841e-09 -2213.3373 -2213.3373 -3383.4272 3383.4272 2670 2.6463545e-08 -2213.3373 -2213.3373 -3383.3882 3383.3882 2675 6.2122013e-08 -2213.3374 -2213.3374 -3383.384 3383.384 Loop time of 0.173265 on 1 procs for 175 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32539585 -2213.33735552 -2213.33736313 Force two-norm initial, final = 0.322766 0.00607314 Force max component initial, final = 0.0460949 0.000434021 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 175 175 Pair time (%) = 0.157166 (90.7086) Neigh time (%) = 0 (0) Comm time (%) = 0.00140738 (0.812273) Outpt time (%) = 0.00113249 (0.653616) Other time (%) = 0.0135589 (7.82551) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2675 0 -2213.3374 -2213.3374 -3383.384 3383.384 2676 2.5831658e-16 -2213.3374 -2213.3374 -3383.384 3383.384 Loop time of 0.0020659 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736313 -2213.33736313 -2213.33736313 Force two-norm initial, final = 0.00607314 0.00607314 Force max component initial, final = 0.000434021 0.000434021 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.6018) Neigh time (%) = 0 (0) Comm time (%) = 1.5974e-05 (0.773226) Outpt time (%) = 0 (0) Other time (%) = 0.000198841 (9.62493) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.3069 -2213.3069 -3386.202 3386.202 2560 1.0848126e-10 -2213.3069 -2213.3069 -3386.202 3386.202 2570 1.1894219e-09 -2213.3069 -2213.3069 -3386.2021 3386.2021 2580 5.8073888e-09 -2213.3069 -2213.3069 -3386.2024 3386.2024 2590 3.120691e-08 -2213.3069 -2213.3069 -3386.2044 3386.2044 2600 1.2257737e-07 -2213.3069 -2213.3069 -3386.2113 3386.2113 2610 5.792029e-07 -2213.3072 -2213.3072 -3386.2454 3386.2454 2620 2.0352721e-06 -2213.3081 -2213.3081 -3386.3471 3386.3471 2630 6.9246507e-06 -2213.3112 -2213.3112 -3386.55 3386.55 2640 1.2818022e-05 -2213.3164 -2213.3164 -3385.8915 3385.8915 2650 2.6729904e-05 -2213.3279 -2213.3279 -3384.5745 3384.5745 2660 1.3721608e-06 -2213.336 -2213.336 -3383.6439 3383.6439 2670 4.6926268e-07 -2213.3365 -2213.3365 -3383.2109 3383.2109 2680 1.0347359e-06 -2213.3371 -2213.3371 -3383.268 3383.268 2690 7.7037928e-08 -2213.3373 -2213.3373 -3383.4386 3383.4386 2700 1.1661678e-08 -2213.3373 -2213.3373 -3383.4125 3383.4125 2708 4.1267952e-08 -2213.3373 -2213.3373 -3383.3882 3383.3882 Loop time of 0.154695 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30686778 -2213.33733695 -2213.33734057 Force two-norm initial, final = 0.354399 0.00766246 Force max component initial, final = 0.0722106 0.000598544 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.140922 (91.0965) Neigh time (%) = 0 (0) Comm time (%) = 0.00128055 (0.827789) Outpt time (%) = 0.000995636 (0.643613) Other time (%) = 0.011497 (7.43207) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2708 0 -2213.3373 -2213.3373 -3383.3882 3383.3882 2709 4.1120947e-16 -2213.3373 -2213.3373 -3383.3882 3383.3882 Loop time of 0.00211215 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734057 -2213.33734057 -2213.33734057 Force two-norm initial, final = 0.00766246 0.00766246 Force max component initial, final = 0.000598544 0.000598544 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0019002 (89.965) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.745005) Outpt time (%) = 0 (0) Other time (%) = 0.000196218 (9.28999) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.3201 -2213.3201 -3380.661 3380.661 2610 1.7031787e-10 -2213.3201 -2213.3201 -3380.6611 3380.6611 2620 1.8673884e-09 -2213.3201 -2213.3201 -3380.6619 3380.6619 2630 9.1169136e-09 -2213.3201 -2213.3201 -3380.6654 3380.6654 2640 4.897212e-08 -2213.3202 -2213.3202 -3380.6848 3380.6848 2650 1.9206926e-07 -2213.3202 -2213.3202 -3380.7554 3380.7554 2660 9.0089806e-07 -2213.3207 -2213.3207 -3381.1068 3381.1068 2670 3.0766375e-06 -2213.322 -2213.322 -3382.2391 3382.2391 2680 8.9324697e-06 -2213.3258 -2213.3258 -3385.7338 3385.7338 2690 1.1210248e-05 -2213.3298 -2213.3298 -3383.1501 3383.1501 2700 1.1878648e-05 -2213.3347 -2213.3347 -3384.3032 3384.3032 2710 1.9543324e-06 -2213.3355 -2213.3355 -3387.0689 3387.0689 2720 7.6620131e-07 -2213.3372 -2213.3372 -3382.9503 3382.9503 2730 5.3051478e-08 -2213.3372 -2213.3372 -3383.7861 3383.7861 2740 1.4935646e-07 -2213.3373 -2213.3373 -3383.1533 3383.1533 2750 1.8195687e-09 -2213.3374 -2213.3374 -3383.3603 3383.3603 2760 7.0992165e-10 -2213.3374 -2213.3374 -3383.4263 3383.4263 2764 2.3408828e-09 -2213.3374 -2213.3374 -3383.4172 3383.4172 Loop time of 0.159871 on 1 procs for 164 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32012937 -2213.33737598 -2213.33737622 Force two-norm initial, final = 0.444064 0.0060289 Force max component initial, final = 0.0755134 0.000626694 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 164 164 Pair time (%) = 0.144372 (90.3054) Neigh time (%) = 0 (0) Comm time (%) = 0.00131822 (0.824549) Outpt time (%) = 0.0010488 (0.656031) Other time (%) = 0.0131319 (8.21403) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2764 0 -2213.3374 -2213.3374 -3383.4172 3383.4172 2765 2.5456741e-16 -2213.3374 -2213.3374 -3383.4172 3383.4172 Loop time of 0.00206208 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737622 -2213.33737622 -2213.33737622 Force two-norm initial, final = 0.0060289 0.0060289 Force max component initial, final = 0.000626694 0.000626694 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (89.6751) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.716846) Outpt time (%) = 0 (0) Other time (%) = 0.000198126 (9.60805) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2500 0 -2213.2701 -2213.2701 -3383.5935 3383.5935 2510 2.3032266e-10 -2213.2701 -2213.2701 -3383.5936 3383.5936 2520 2.5252892e-09 -2213.2701 -2213.2701 -3383.5947 3383.5947 2530 1.2328926e-08 -2213.2701 -2213.2701 -3383.5997 3383.5997 2540 6.6225909e-08 -2213.2701 -2213.2701 -3383.6271 3383.6271 2550 2.5975423e-07 -2213.2702 -2213.2702 -3383.7263 3383.7263 2560 1.2185776e-06 -2213.2708 -2213.2708 -3384.2207 3384.2207 2570 4.1726366e-06 -2213.2726 -2213.2726 -3385.8141 3385.8141 2580 1.2561366e-05 -2213.2779 -2213.2779 -3390.7486 3390.7486 2590 2.4964634e-05 -2213.2881 -2213.2881 -3388.5951 3388.5951 2600 6.6154018e-05 -2213.3186 -2213.3186 -3384.5965 3384.5965 2610 2.6185741e-06 -2213.3347 -2213.3347 -3379.2628 3379.2628 2620 1.4005486e-06 -2213.3368 -2213.3368 -3383.3517 3383.3517 2630 9.6983368e-08 -2213.3369 -2213.3369 -3382.9381 3382.9381 2640 6.0639304e-07 -2213.3371 -2213.3371 -3383.1406 3383.1406 2650 8.1201433e-07 -2213.3373 -2213.3373 -3383.5552 3383.5552 2660 2.3855167e-09 -2213.3373 -2213.3373 -3383.602 3383.602 2670 2.6579668e-08 -2213.3373 -2213.3373 -3383.4836 3383.4836 2672 3.632196e-08 -2213.3373 -2213.3373 -3383.481 3383.481 Loop time of 0.168499 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27005649 -2213.33733712 -2213.33734005 Force two-norm initial, final = 0.516397 0.00970077 Force max component initial, final = 0.0654447 0.000833441 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.152679 (90.6115) Neigh time (%) = 0 (0) Comm time (%) = 0.00141287 (0.838503) Outpt time (%) = 0.00112224 (0.66602) Other time (%) = 0.0132844 (7.88399) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2672 0 -2213.3373 -2213.3373 -3383.481 3383.481 2680 4.8398631e-14 -2213.3373 -2213.3373 -3383.481 3383.481 2690 6.1086077e-13 -2213.3373 -2213.3373 -3383.481 3383.481 2700 3.3937263e-12 -2213.3373 -2213.3373 -3383.481 3383.481 2710 1.7538502e-11 -2213.3373 -2213.3373 -3383.4811 3383.4811 2713 2.9261426e-11 -2213.3373 -2213.3373 -3383.4811 3383.4811 Loop time of 0.040801 on 1 procs for 41 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734005 -2213.33734006 -2213.33734007 Force two-norm initial, final = 0.0100035 0.00999939 Force max component initial, final = 0.000782275 0.000782053 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 41 41 Pair time (%) = 0.0367696 (90.1193) Neigh time (%) = 0 (0) Comm time (%) = 0.000338554 (0.829769) Outpt time (%) = 0.000263929 (0.646869) Other time (%) = 0.00342894 (8.40404) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.2772 -2213.2772 -3385.068 3385.068 2560 1.4433772e-10 -2213.2772 -2213.2772 -3385.0681 3385.0681 2570 1.5824992e-09 -2213.2772 -2213.2772 -3385.0691 3385.0691 2580 7.7250898e-09 -2213.2772 -2213.2772 -3385.0734 3385.0734 2590 4.1469632e-08 -2213.2772 -2213.2772 -3385.0971 3385.0971 2600 1.6223048e-07 -2213.2773 -2213.2773 -3385.1834 3385.1834 2610 7.5152481e-07 -2213.2776 -2213.2776 -3385.6135 3385.6135 2620 2.4252756e-06 -2213.2787 -2213.2787 -3387.0034 3387.0034 2630 4.5309501e-06 -2213.2809 -2213.2809 -3391.1395 3391.1395 2640 7.5839004e-06 -2213.2849 -2213.2849 -3388.1998 3388.1998 2650 6.4475077e-05 -2213.3141 -2213.3141 -3387.0834 3387.0834 2660 1.0537409e-06 -2213.3363 -2213.3363 -3382.6153 3382.6153 2670 4.4846549e-07 -2213.3371 -2213.3371 -3383.1518 3383.1518 2680 2.1772729e-08 -2213.3372 -2213.3372 -3383.1579 3383.1579 2690 1.3546435e-07 -2213.3372 -2213.3372 -3383.1787 3383.1787 2700 1.9679481e-07 -2213.3374 -2213.3374 -3383.3549 3383.3549 2708 1.4976808e-10 -2213.3374 -2213.3374 -3383.454 3383.454 Loop time of 0.157561 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27716637 -2213.33736671 -2213.33736676 Force two-norm initial, final = 0.408795 0.00707064 Force max component initial, final = 0.0489632 0.000765822 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.141021 (89.5023) Neigh time (%) = 0 (0) Comm time (%) = 0.00129128 (0.819539) Outpt time (%) = 0.00102425 (0.650063) Other time (%) = 0.0142248 (9.0281) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2708 0 -2213.3374 -2213.3374 -3383.454 3383.454 2709 3.5014166e-16 -2213.3374 -2213.3374 -3383.454 3383.454 Loop time of 0.00212193 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736676 -2213.33736676 -2213.33736676 Force two-norm initial, final = 0.00707064 0.00707064 Force max component initial, final = 0.000765822 0.000765822 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00191307 (90.1573) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.808989) Outpt time (%) = 0 (0) Other time (%) = 0.000191689 (9.03371) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.2775 -2213.2775 -3385.1926 3385.1926 2610 1.6792914e-10 -2213.2775 -2213.2775 -3385.1927 3385.1927 2620 1.8411479e-09 -2213.2775 -2213.2775 -3385.1937 3385.1937 2630 8.9876197e-09 -2213.2775 -2213.2775 -3385.1979 3385.1979 2640 4.8244409e-08 -2213.2775 -2213.2775 -3385.2209 3385.2209 2650 1.8869997e-07 -2213.2776 -2213.2776 -3385.3045 3385.3045 2660 8.7327538e-07 -2213.278 -2213.278 -3385.7209 3385.7209 2670 2.8109129e-06 -2213.2792 -2213.2792 -3387.0628 3387.0628 2680 5.037116e-06 -2213.2817 -2213.2817 -3390.9761 3390.9761 2690 8.5003032e-06 -2213.2857 -2213.2857 -3388.0845 3388.0845 2700 6.3164655e-05 -2213.3147 -2213.3147 -3387.2452 3387.2452 2710 2.5472705e-06 -2213.3332 -2213.3332 -3383.5301 3383.5301 2720 5.518508e-07 -2213.3335 -2213.3335 -3383.3148 3383.3148 2730 1.8889452e-06 -2213.3345 -2213.3345 -3383.4696 3383.4696 2740 4.8336167e-06 -2213.3368 -2213.3368 -3382.6637 3382.6637 2750 3.5046559e-08 -2213.337 -2213.337 -3383.5297 3383.5297 2760 2.5402728e-07 -2213.3372 -2213.3372 -3383.5411 3383.5411 2770 1.9356027e-08 -2213.3373 -2213.3373 -3383.4273 3383.4273 2772 5.6360951e-08 -2213.3373 -2213.3373 -3383.3799 3383.3799 Loop time of 0.171 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27747007 -2213.33733818 -2213.33734443 Force two-norm initial, final = 0.44094 0.00879139 Force max component initial, final = 0.0471691 0.000789307 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.155042 (90.6677) Neigh time (%) = 0 (0) Comm time (%) = 0.00139594 (0.81634) Outpt time (%) = 0.00114059 (0.667014) Other time (%) = 0.0134218 (7.84899) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2772 0 -2213.3373 -2213.3373 -3383.3799 3383.3799 2773 5.6336619e-16 -2213.3373 -2213.3373 -3383.3799 3383.3799 Loop time of 0.00214386 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734443 -2213.33734443 -2213.33734443 Force two-norm initial, final = 0.00896876 0.00896876 Force max component initial, final = 0.000772908 0.000772908 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00191212 (89.1904) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.789591) Outpt time (%) = 0 (0) Other time (%) = 0.000214815 (10.02) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2550 0 -2213.2849 -2213.2849 -3387.6883 3387.6883 2560 1.4951276e-10 -2213.2849 -2213.2849 -3387.6884 3387.6884 2570 1.6392973e-09 -2213.2849 -2213.2849 -3387.6885 3387.6885 2580 8.0037486e-09 -2213.2849 -2213.2849 -3387.6892 3387.6892 2590 4.300489e-08 -2213.285 -2213.285 -3387.6928 3387.6928 2600 1.6884296e-07 -2213.285 -2213.285 -3387.706 3387.706 2610 7.9618729e-07 -2213.2854 -2213.2854 -3387.7709 3387.7709 2620 2.772093e-06 -2213.2866 -2213.2866 -3387.9697 3387.9697 2630 8.93738e-06 -2213.2906 -2213.2906 -3388.4489 3388.4489 2640 1.5722214e-05 -2213.2974 -2213.2974 -3388.0065 3388.0065 2650 4.5539328e-05 -2213.3162 -2213.3162 -3385.0373 3385.0373 2660 1.3220017e-06 -2213.334 -2213.334 -3381.981 3381.981 2670 8.6674857e-07 -2213.3357 -2213.3357 -3383.4424 3383.4424 2680 2.4559536e-06 -2213.3369 -2213.3369 -3383.242 3383.242 2690 2.04435e-07 -2213.3373 -2213.3373 -3383.2971 3383.2971 2700 5.2193837e-08 -2213.3373 -2213.3373 -3383.4045 3383.4045 2710 2.2248992e-07 -2213.3374 -2213.3374 -3383.4457 3383.4457 2720 6.3894294e-09 -2213.3373 -2213.3373 -3383.4077 3383.4077 2730 3.4009444e-08 -2213.3374 -2213.3374 -3383.4107 3383.4107 2731 3.7599725e-08 -2213.3374 -2213.3374 -3383.3965 3383.3965 Loop time of 0.175805 on 1 procs for 181 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.28494186 -2213.33735959 -2213.33736345 Force two-norm initial, final = 0.416059 0.00652415 Force max component initial, final = 0.0620187 0.000597394 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 181 181 Pair time (%) = 0.159012 (90.4481) Neigh time (%) = 0 (0) Comm time (%) = 0.0014863 (0.845426) Outpt time (%) = 0.00118923 (0.676449) Other time (%) = 0.0141172 (8.03005) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2731 0 -2213.3374 -2213.3374 -3383.3965 3383.3965 2732 2.9810829e-16 -2213.3374 -2213.3374 -3383.3965 3383.3965 Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736345 -2213.33736345 -2213.33736345 Force two-norm initial, final = 0.00652415 0.00652415 Force max component initial, final = 0.000597394 0.000597394 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.2106) Neigh time (%) = 0 (0) Comm time (%) = 1.62125e-05 (0.78134) Outpt time (%) = 0 (0) Other time (%) = 0.000207663 (10.008) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.2798 -2213.2798 -3385.8669 3385.8669 2610 1.7040237e-10 -2213.2798 -2213.2798 -3385.8669 3385.8669 2620 1.8683415e-09 -2213.2798 -2213.2798 -3385.8672 3385.8672 2630 9.1221664e-09 -2213.2798 -2213.2798 -3385.8686 3385.8686 2640 4.9017682e-08 -2213.2798 -2213.2798 -3385.8763 3385.8763 2650 1.9250486e-07 -2213.2799 -2213.2799 -3385.9044 3385.9044 2660 9.089345e-07 -2213.2804 -2213.2804 -3386.0444 3386.0444 2670 3.1799099e-06 -2213.2818 -2213.2818 -3386.5001 3386.5001 2680 1.0357916e-05 -2213.2863 -2213.2863 -3388.0562 3388.0562 2690 1.7328513e-05 -2213.2934 -2213.2934 -3388.5742 3388.5742 2700 5.5264506e-05 -2213.3181 -2213.3181 -3385.1349 3385.1349 2710 1.6937375e-06 -2213.3344 -2213.3344 -3383.9138 3383.9138 2720 6.8279703e-07 -2213.3355 -2213.3355 -3384.0353 3384.0353 2730 5.9228651e-08 -2213.3357 -2213.3357 -3383.7267 3383.7267 2740 5.1072837e-07 -2213.3361 -2213.3361 -3383.8144 3383.8144 2750 9.937537e-07 -2213.3367 -2213.3367 -3383.4911 3383.4911 2760 1.0067297e-07 -2213.337 -2213.337 -3383.4691 3383.4691 2770 4.5545296e-08 -2213.337 -2213.337 -3383.4432 3383.4432 2780 2.0828339e-07 -2213.3372 -2213.3372 -3383.4462 3383.4462 2790 3.0829778e-08 -2213.3372 -2213.3372 -3383.4287 3383.4287 2792 5.065885e-08 -2213.3372 -2213.3372 -3383.406 3383.406 Loop time of 0.187819 on 1 procs for 192 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.27981598 -2213.3372268 -2213.33723483 Force two-norm initial, final = 0.444174 0.0098442 Force max component initial, final = 0.0705226 0.000946473 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 192 192 Pair time (%) = 0.169705 (90.3557) Neigh time (%) = 0 (0) Comm time (%) = 0.00155497 (0.827907) Outpt time (%) = 0.00127292 (0.677736) Other time (%) = 0.015286 (8.13867) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2792 0 -2213.3372 -2213.3372 -3383.406 3383.406 2800 1.1043502e-13 -2213.3372 -2213.3372 -3383.406 3383.406 2810 1.3938516e-12 -2213.3372 -2213.3372 -3383.406 3383.406 2820 7.7437761e-12 -2213.3372 -2213.3372 -3383.406 3383.406 2830 4.0020387e-11 -2213.3372 -2213.3372 -3383.406 3383.406 2840 1.6945892e-10 -2213.3372 -2213.3372 -3383.406 3383.406 2850 7.7327185e-10 -2213.3372 -2213.3372 -3383.4061 3383.4061 2860 3.100555e-09 -2213.3372 -2213.3372 -3383.4064 3383.4064 2870 1.3674382e-08 -2213.3372 -2213.3372 -3383.4073 3383.4073 2880 5.4477304e-08 -2213.3372 -2213.3372 -3383.4076 3383.4076 2890 2.6185963e-07 -2213.3372 -2213.3372 -3383.4164 3383.4164 2900 3.8580505e-09 -2213.3367 -2213.3367 -3383.5172 3383.5172 2910 4.5241789e-07 -2213.3369 -2213.3369 -3383.4711 3383.4711 2920 1.3176356e-06 -2213.3373 -2213.3373 -3383.3219 3383.3219 2930 6.1022808e-07 -2213.3373 -2213.3373 -3383.3267 3383.3267 2940 9.7594381e-08 -2213.3374 -2213.3374 -3383.425 3383.425 2941 1.0605999e-07 -2213.3374 -2213.3374 -3383.4267 3383.4267 Loop time of 0.144749 on 1 procs for 149 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33723483 -2213.33735083 -2213.3373536 Force two-norm initial, final = 0.0151109 0.00846635 Force max component initial, final = 0.00123145 0.000949348 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 149 149 Pair time (%) = 0.13068 (90.2807) Neigh time (%) = 0 (0) Comm time (%) = 0.00119114 (0.8229) Outpt time (%) = 0.000975609 (0.674001) Other time (%) = 0.0119019 (8.22241) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.2637 -2213.2637 -3388.6009 3388.6009 2660 2.2628462e-10 -2213.2637 -2213.2637 -3388.6009 3388.6009 2670 2.4810846e-09 -2213.2637 -2213.2637 -3388.6009 3388.6009 2680 1.211469e-08 -2213.2637 -2213.2637 -3388.601 3388.601 2690 6.5120336e-08 -2213.2637 -2213.2637 -3388.6015 3388.6015 2700 2.5609694e-07 -2213.2638 -2213.2638 -3388.6033 3388.6033 2710 1.2171096e-06 -2213.2644 -2213.2644 -3388.6116 3388.6116 2720 4.3697542e-06 -2213.2663 -2213.2663 -3388.6341 3388.6341 2730 1.6210742e-05 -2213.2735 -2213.2735 -3388.689 3388.689 2740 3.4017884e-05 -2213.287 -2213.287 -3389.5087 3389.5087 2750 7.8391836e-05 -2213.3206 -2213.3206 -3384.4643 3384.4643 2760 1.3499288e-06 -2213.3362 -2213.3362 -3382.9629 3382.9629 2770 4.9767944e-07 -2213.3369 -2213.3369 -3383.2467 3383.2467 2780 3.7622932e-08 -2213.337 -2213.337 -3383.12 3383.12 2790 2.7826688e-07 -2213.3371 -2213.3371 -3383.2007 3383.2007 2800 5.8289212e-07 -2213.3373 -2213.3373 -3383.3395 3383.3395 2810 6.9401382e-08 -2213.3373 -2213.3373 -3383.5507 3383.5507 2820 1.8663931e-08 -2213.3373 -2213.3373 -3383.4758 3383.4758 2825 3.6973251e-08 -2213.3374 -2213.3374 -3383.4798 3383.4798 Loop time of 0.169771 on 1 procs for 175 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.26367815 -2213.33735397 -2213.33735742 Force two-norm initial, final = 0.51185 0.00835275 Force max component initial, final = 0.072409 0.000705745 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 175 175 Pair time (%) = 0.154093 (90.7652) Neigh time (%) = 0 (0) Comm time (%) = 0.00143576 (0.845702) Outpt time (%) = 0.00112128 (0.660468) Other time (%) = 0.0131209 (7.72858) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2825 0 -2213.3374 -2213.3374 -3383.4798 3383.4798 2826 4.6294207e-16 -2213.3374 -2213.3374 -3383.4798 3383.4798 Loop time of 0.00209785 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735742 -2213.33735742 -2213.33735742 Force two-norm initial, final = 0.00813018 0.00813018 Force max component initial, final = 0.000708846 0.000708846 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184608 (87.9986) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.704626) Outpt time (%) = 0 (0) Other time (%) = 0.000236988 (11.2967) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2600 0 -2213.3177 -2213.3177 -3386.0013 3386.0013 2610 1.2193613e-10 -2213.3177 -2213.3177 -3386.0013 3386.0013 2620 1.3369349e-09 -2213.3177 -2213.3177 -3386.0013 3386.0013 2630 6.5273801e-09 -2213.3177 -2213.3177 -3386.0016 3386.0016 2640 3.5069062e-08 -2213.3177 -2213.3177 -3386.003 3386.003 2650 1.3764049e-07 -2213.3178 -2213.3178 -3386.008 3386.008 2660 6.4793485e-07 -2213.3181 -2213.3181 -3386.0313 3386.0313 2670 2.2414074e-06 -2213.3191 -2213.3191 -3386.0873 3386.0873 2680 6.8871589e-06 -2213.3221 -2213.3221 -3385.9226 3385.9226 2690 9.9179521e-06 -2213.3259 -2213.3259 -3384.3535 3384.3535 2700 1.7491572e-05 -2213.3341 -2213.3341 -3383.6198 3383.6198 2710 9.8648681e-07 -2213.3359 -2213.3359 -3382.7854 3382.7854 2720 6.4326695e-07 -2213.3368 -2213.3368 -3383.269 3383.269 2730 7.8251934e-08 -2213.3369 -2213.3369 -3383.1856 3383.1856 2740 4.7215318e-07 -2213.3372 -2213.3372 -3383.2604 3383.2604 2750 3.3896182e-09 -2213.3374 -2213.3374 -3383.4058 3383.4058 2754 1.9998949e-08 -2213.3374 -2213.3374 -3383.3801 3383.3801 Loop time of 0.151467 on 1 procs for 154 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31771996 -2213.33737058 -2213.33737207 Force two-norm initial, final = 0.375735 0.00677355 Force max component initial, final = 0.0342566 0.00057647 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 154 154 Pair time (%) = 0.137317 (90.6579) Neigh time (%) = 0 (0) Comm time (%) = 0.00122452 (0.808438) Outpt time (%) = 0.00099802 (0.658902) Other time (%) = 0.0119276 (7.87472) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2754 0 -2213.3374 -2213.3374 -3383.3801 3383.3801 2755 3.2133597e-16 -2213.3374 -2213.3374 -3383.3801 3383.3801 Loop time of 0.0020659 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737207 -2213.33737207 -2213.33737207 Force two-norm initial, final = 0.00677355 0.00677355 Force max component initial, final = 0.00057647 0.00057647 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184917 (89.5095) Neigh time (%) = 0 (0) Comm time (%) = 1.43051e-05 (0.692441) Outpt time (%) = 0 (0) Other time (%) = 0.000202417 (9.79804) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.3077 -2213.3077 -3387.5492 3387.5492 2660 9.7970382e-11 -2213.3077 -2213.3077 -3387.5492 3387.5492 2670 1.0741762e-09 -2213.3077 -2213.3077 -3387.5491 3387.5491 2680 5.2446601e-09 -2213.3077 -2213.3077 -3387.5487 3387.5487 2690 2.8182133e-08 -2213.3077 -2213.3077 -3387.5465 3387.5465 2700 1.1067901e-07 -2213.3078 -2213.3078 -3387.5383 3387.5383 2710 5.2267627e-07 -2213.308 -2213.308 -3387.4966 3387.4966 2720 1.8315951e-06 -2213.3089 -2213.3089 -3387.3483 3387.3483 2730 6.2258967e-06 -2213.3116 -2213.3116 -3386.6721 3386.6721 2740 1.3666932e-05 -2213.3174 -2213.3174 -3386.0008 3386.0008 2750 2.7391783e-05 -2213.3291 -2213.3291 -3384.2184 3384.2184 2760 1.0191528e-06 -2213.3366 -2213.3366 -3383.5615 3383.5615 2770 2.9038459e-07 -2213.3369 -2213.3369 -3383.1712 3383.1712 2780 6.4715646e-07 -2213.3372 -2213.3372 -3383.0892 3383.0892 2790 7.1463202e-08 -2213.3373 -2213.3373 -3383.3775 3383.3775 2800 1.0062342e-08 -2213.3373 -2213.3373 -3383.3502 3383.3502 2810 4.8438813e-08 -2213.3374 -2213.3374 -3383.3483 3383.3483 2813 6.1723504e-08 -2213.3374 -2213.3374 -3383.388 3383.388 Loop time of 0.158759 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30772695 -2213.33736116 -2213.33736518 Force two-norm initial, final = 0.336793 0.0063977 Force max component initial, final = 0.0474694 0.000537403 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.143671 (90.4961) Neigh time (%) = 0 (0) Comm time (%) = 0.00132155 (0.832427) Outpt time (%) = 0.00106049 (0.667984) Other time (%) = 0.0127063 (8.0035) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2813 0 -2213.3374 -2213.3374 -3383.388 3383.388 2814 2.866643e-16 -2213.3374 -2213.3374 -3383.388 3383.388 Loop time of 0.00206304 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736518 -2213.33736518 -2213.33736518 Force two-norm initial, final = 0.0063977 0.0063977 Force max component initial, final = 0.000537403 0.000537403 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184989 (89.6683) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.808968) Outpt time (%) = 0 (0) Other time (%) = 0.000196457 (9.52271) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.3206 -2213.3206 -3386.146 3386.146 2710 8.5187884e-11 -2213.3206 -2213.3206 -3386.146 3386.146 2720 9.3403083e-10 -2213.3206 -2213.3206 -3386.1459 3386.1459 2730 4.5605376e-09 -2213.3206 -2213.3206 -3386.1455 3386.1455 2740 2.4509796e-08 -2213.3206 -2213.3206 -3386.1433 3386.1433 2750 9.6315912e-08 -2213.3206 -2213.3206 -3386.1353 3386.1353 2760 4.5614987e-07 -2213.3209 -2213.3209 -3386.0945 3386.0945 2770 1.6154356e-06 -2213.3216 -2213.3216 -3385.9493 3385.9493 2780 5.6724855e-06 -2213.3241 -2213.3241 -3385.2586 3385.2586 2790 1.1744169e-05 -2213.3287 -2213.3287 -3384.2599 3384.2599 2800 1.5076696e-05 -2213.3348 -2213.3348 -3383.8033 3383.8033 2810 3.4394239e-07 -2213.3365 -2213.3365 -3383.5174 3383.5174 2820 2.0034904e-07 -2213.337 -2213.337 -3383.1949 3383.1949 2830 5.1574054e-07 -2213.3372 -2213.3372 -3383.1722 3383.1722 2840 2.1860245e-08 -2213.3373 -2213.3373 -3383.4508 3383.4508 2850 3.7060001e-08 -2213.3374 -2213.3374 -3383.5704 3383.5704 2858 1.6285837e-08 -2213.3374 -2213.3374 -3383.3646 3383.3646 Loop time of 0.154405 on 1 procs for 158 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3205877 -2213.33737003 -2213.3373723 Force two-norm initial, final = 0.314054 0.00758249 Force max component initial, final = 0.0413709 0.000865145 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 158 158 Pair time (%) = 0.139652 (90.4455) Neigh time (%) = 0 (0) Comm time (%) = 0.0012815 (0.829959) Outpt time (%) = 0.000990152 (0.641269) Other time (%) = 0.012481 (8.08326) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2858 0 -2213.3374 -2213.3374 -3383.3646 3383.3646 2859 4.0267105e-16 -2213.3374 -2213.3374 -3383.3646 3383.3646 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 = -2213.3373723 -2213.3373723 -2213.3373723 Force two-norm initial, final = 0.00758249 0.00758249 Force max component initial, final = 0.000865145 0.000865145 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00184989 (89.1942) Neigh time (%) = 0 (0) Comm time (%) = 1.78814e-05 (0.862168) 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2650 0 -2213.308 -2213.308 -3385.8676 3385.8676 2660 8.7731412e-11 -2213.308 -2213.308 -3385.8676 3385.8676 2670 9.6190672e-10 -2213.308 -2213.308 -3385.8677 3385.8677 2680 4.6963712e-09 -2213.308 -2213.308 -3385.8682 3385.8682 2690 2.523182e-08 -2213.308 -2213.308 -3385.8708 3385.8708 2700 9.9035304e-08 -2213.3081 -2213.3081 -3385.88 3385.88 2710 4.6620686e-07 -2213.3083 -2213.3083 -3385.9252 3385.9252 2720 1.612538e-06 -2213.309 -2213.309 -3386.0598 3386.0598 2730 4.8216273e-06 -2213.3111 -2213.3111 -3386.2847 3386.2847 2740 5.4214002e-06 -2213.3137 -2213.3137 -3385.283 3385.283 2750 2.5006021e-05 -2213.3244 -2213.3244 -3384.6971 3384.6971 2760 8.4030293e-07 -2213.3351 -2213.3351 -3383.063 3383.063 2770 4.0815132e-07 -2213.3357 -2213.3357 -3383.3337 3383.3337 2780 1.4847117e-06 -2213.3365 -2213.3365 -3383.3545 3383.3545 2790 9.9962027e-08 -2213.3371 -2213.3371 -3383.2357 3383.2357 2800 3.2746987e-08 -2213.3371 -2213.3371 -3383.2494 3383.2494 2810 2.2959803e-07 -2213.3372 -2213.3372 -3383.321 3383.321 2820 5.8864623e-09 -2213.3373 -2213.3373 -3383.4262 3383.4262 2823 2.3695006e-08 -2213.3373 -2213.3373 -3383.4148 3383.4148 Loop time of 0.167671 on 1 procs for 173 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30802742 -2213.33734726 -2213.33734868 Force two-norm initial, final = 0.318708 0.00925545 Force max component initial, final = 0.0331928 0.000838572 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 173 173 Pair time (%) = 0.152005 (90.6567) Neigh time (%) = 0 (0) Comm time (%) = 0.00140166 (0.835959) Outpt time (%) = 0.001122 (0.669165) Other time (%) = 0.0131423 (7.83817) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2823 0 -2213.3373 -2213.3373 -3383.4148 3383.4148 2824 6.2388916e-16 -2213.3373 -2213.3373 -3383.4148 3383.4148 Loop time of 0.00207305 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734868 -2213.33734868 -2213.33734868 Force two-norm initial, final = 0.00943823 0.00943823 Force max component initial, final = 0.000810831 0.000810831 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185084 (89.2812) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.80506) Outpt time (%) = 0 (0) Other time (%) = 0.000205517 (9.91374) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.3147 -2213.3147 -3386.8996 3386.8996 2710 2.8059679e-10 -2213.3147 -2213.3147 -3386.8996 3386.8996 2720 3.076445e-09 -2213.3147 -2213.3147 -3386.8993 3386.8993 2730 1.5018514e-08 -2213.3147 -2213.3147 -3386.8981 3386.8981 2740 8.0636492e-08 -2213.3147 -2213.3147 -3386.8915 3386.8915 2750 3.1573816e-07 -2213.3149 -2213.3149 -3386.8674 3386.8674 2760 1.4683291e-06 -2213.3156 -2213.3156 -3386.743 3386.743 2770 4.8584627e-06 -2213.3176 -2213.3176 -3386.2891 3386.2891 2780 1.1021939e-05 -2213.322 -2213.322 -3384.2622 3384.2622 2790 9.5782876e-06 -2213.3255 -2213.3255 -3385.2613 3385.2613 2800 1.245522e-05 -2213.3311 -2213.3311 -3383.3577 3383.3577 2810 4.6119907e-08 -2213.3335 -2213.3335 -3383.0537 3383.0537 2820 1.4594446e-06 -2213.3341 -2213.3341 -3383.9171 3383.9171 2830 3.7541959e-06 -2213.3358 -2213.3358 -3383.3562 3383.3562 2840 3.6405752e-07 -2213.3371 -2213.3371 -3383.344 3383.344 2850 7.7945588e-08 -2213.3371 -2213.3371 -3383.3462 3383.3462 2860 2.4505397e-07 -2213.3372 -2213.3372 -3383.585 3383.585 2870 4.7891526e-08 -2213.3373 -2213.3373 -3383.4797 3383.4797 2880 6.4709515e-08 -2213.3373 -2213.3373 -3383.4448 3383.4448 2890 7.7431545e-09 -2213.3374 -2213.3374 -3383.4062 3383.4062 2895 2.0392798e-08 -2213.3374 -2213.3374 -3383.3947 3383.3947 Loop time of 0.189468 on 1 procs for 195 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3146678 -2213.33735834 -2213.33736059 Force two-norm initial, final = 0.569977 0.00604391 Force max component initial, final = 0.0583255 0.000429058 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 195 195 Pair time (%) = 0.171707 (90.626) Neigh time (%) = 0 (0) Comm time (%) = 0.00158072 (0.834292) Outpt time (%) = 0.00124383 (0.656486) Other time (%) = 0.0149362 (7.88324) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2895 0 -2213.3374 -2213.3374 -3383.3947 3383.3947 2896 2.5583651e-16 -2213.3374 -2213.3374 -3383.3947 3383.3947 Loop time of 0.00206208 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736059 -2213.33736059 -2213.33736059 Force two-norm initial, final = 0.00604391 0.00604391 Force max component initial, final = 0.000429058 0.000429058 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185013 (89.7214) Neigh time (%) = 0 (0) Comm time (%) = 1.71661e-05 (0.832466) Outpt time (%) = 0 (0) Other time (%) = 0.000194788 (9.44618) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.3215 -2213.3215 -3386.912 3386.912 2760 1.0109347e-10 -2213.3215 -2213.3215 -3386.912 3386.912 2770 1.108417e-09 -2213.3215 -2213.3215 -3386.9119 3386.9119 2780 5.4118042e-09 -2213.3215 -2213.3215 -3386.9116 3386.9116 2790 2.9079193e-08 -2213.3215 -2213.3215 -3386.9096 3386.9096 2800 1.1418605e-07 -2213.3216 -2213.3216 -3386.9022 3386.9022 2810 5.3882034e-07 -2213.3218 -2213.3218 -3386.8642 3386.8642 2820 1.8812452e-06 -2213.3226 -2213.3226 -3386.7256 3386.7256 2830 6.1178301e-06 -2213.3253 -2213.3253 -3386.0183 3386.0183 2840 9.4992383e-06 -2213.329 -2213.329 -3385.1137 3385.1137 2850 1.4129703e-05 -2213.3348 -2213.3348 -3383.6222 3383.6222 2860 1.1083682e-06 -2213.3365 -2213.3365 -3382.7527 3382.7527 2870 2.0742404e-07 -2213.3369 -2213.3369 -3383.3636 3383.3636 2880 4.3886921e-07 -2213.3371 -2213.3371 -3383.1231 3383.1231 2890 2.0845827e-07 -2213.3373 -2213.3373 -3383.4917 3383.4917 2900 2.5874354e-08 -2213.3373 -2213.3373 -3383.4071 3383.4071 2910 9.0899436e-08 -2213.3374 -2213.3374 -3383.415 3383.415 2916 1.5268442e-08 -2213.3374 -2213.3374 -3383.4194 3383.4194 Loop time of 0.165023 on 1 procs for 166 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3214945 -2213.33736614 -2213.33736693 Force two-norm initial, final = 0.342119 0.00633855 Force max component initial, final = 0.0320861 0.000516644 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 166 166 Pair time (%) = 0.14916 (90.3876) Neigh time (%) = 0 (0) Comm time (%) = 0.00135708 (0.822357) Outpt time (%) = 0.00112104 (0.679326) Other time (%) = 0.0133846 (8.11073) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2916 0 -2213.3374 -2213.3374 -3383.4194 3383.4194 2917 2.8138792e-16 -2213.3374 -2213.3374 -3383.4194 3383.4194 Loop time of 0.00213313 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33736693 -2213.33736693 -2213.33736693 Force two-norm initial, final = 0.00633855 0.00633855 Force max component initial, final = 0.000516644 0.000516644 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00191498 (89.7731) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.782385) Outpt time (%) = 0 (0) Other time (%) = 0.000201464 (9.44451) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2700 0 -2213.3063 -2213.3063 -3380.2884 3380.2884 2710 1.012952e-10 -2213.3063 -2213.3063 -3380.2885 3380.2885 2720 1.1105953e-09 -2213.3063 -2213.3063 -3380.2896 3380.2896 2730 5.4216774e-09 -2213.3063 -2213.3063 -3380.2944 3380.2944 2740 2.9110376e-08 -2213.3063 -2213.3063 -3380.3207 3380.3207 2750 1.1398071e-07 -2213.3064 -2213.3064 -3380.4164 3380.4164 2760 5.3025104e-07 -2213.3066 -2213.3066 -3380.894 3380.894 2770 1.7522662e-06 -2213.3074 -2213.3074 -3382.446 3382.446 2780 4.1412072e-06 -2213.3092 -2213.3092 -3387.333 3387.333 2790 6.5248254e-06 -2213.3121 -2213.3121 -3385.0549 3385.0549 2800 2.5792483e-05 -2213.3241 -2213.3241 -3385.0394 3385.0394 2810 1.2550368e-06 -2213.3354 -2213.3354 -3384.2462 3384.2462 2820 3.3748266e-07 -2213.3364 -2213.3364 -3383.3244 3383.3244 2830 1.0248302e-06 -2213.337 -2213.337 -3383.4189 3383.4189 2840 3.801422e-08 -2213.3371 -2213.3371 -3383.3078 3383.3078 2850 2.0852102e-07 -2213.3373 -2213.3373 -3383.3459 3383.3459 2860 6.1300371e-10 -2213.3373 -2213.3373 -3383.4077 3383.4077 2863 2.4000588e-09 -2213.3373 -2213.3373 -3383.4018 3383.4018 Loop time of 0.161436 on 1 procs for 163 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.30631523 -2213.33729803 -2213.33729846 Force two-norm initial, final = 0.34246 0.0099442 Force max component initial, final = 0.0403646 0.00108433 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 163 163 Pair time (%) = 0.146661 (90.8476) Neigh time (%) = 0 (0) Comm time (%) = 0.00131083 (0.811979) Outpt time (%) = 0.00105834 (0.655579) Other time (%) = 0.0124061 (7.68486) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2863 0 -2213.3373 -2213.3373 -3383.4018 3383.4018 2870 4.5923534e-14 -2213.3373 -2213.3373 -3383.4018 3383.4018 2880 6.3417445e-13 -2213.3373 -2213.3373 -3383.4018 3383.4018 2890 3.7937707e-12 -2213.3373 -2213.3373 -3383.4018 3383.4018 2900 1.9176545e-11 -2213.3373 -2213.3373 -3383.4017 3383.4017 2910 8.4437026e-11 -2213.3373 -2213.3373 -3383.4016 3383.4016 2920 3.741469e-10 -2213.3373 -2213.3373 -3383.401 3383.401 2930 1.5558653e-09 -2213.3373 -2213.3373 -3383.3988 3383.3988 2940 6.6631864e-09 -2213.3373 -2213.3373 -3383.3916 3383.3916 2950 2.6287071e-08 -2213.3373 -2213.3373 -3383.3883 3383.3883 2960 1.0489135e-07 -2213.3373 -2213.3373 -3383.3991 3383.3991 2970 9.5763603e-10 -2213.3372 -2213.3372 -3383.3696 3383.3696 2980 8.6302248e-08 -2213.3373 -2213.3373 -3383.4854 3383.4854 2990 1.912277e-07 -2213.3373 -2213.3373 -3383.4255 3383.4255 3000 7.7632568e-09 -2213.3374 -2213.3374 -3383.27 3383.27 Loop time of 0.137421 on 1 procs for 137 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33729846 -2213.33735639 -2213.33735739 Force two-norm initial, final = 0.011405 0.00922687 Force max component initial, final = 0.000908399 0.00133541 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 137 137 Pair time (%) = 0.124254 (90.4182) Neigh time (%) = 0 (0) Comm time (%) = 0.00117922 (0.858107) Outpt time (%) = 0.000864029 (0.628746) Other time (%) = 0.0111241 (8.09494) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.3188 -2213.3188 -3381.332 3381.332 2760 1.7525608e-10 -2213.3188 -2213.3188 -3381.3321 3381.3321 2770 1.9215139e-09 -2213.3188 -2213.3188 -3381.3326 3381.3326 2780 9.3807498e-09 -2213.3188 -2213.3188 -3381.335 3381.335 2790 5.0377633e-08 -2213.3188 -2213.3188 -3381.3481 3381.3481 2800 1.9740273e-07 -2213.3189 -2213.3189 -3381.3957 3381.3957 2810 9.2182918e-07 -2213.3194 -2213.3194 -3381.6323 3381.6323 2820 3.0928579e-06 -2213.3207 -2213.3207 -3382.3913 3382.3913 2830 8.1001917e-06 -2213.3242 -2213.3242 -3384.7345 3384.7345 2840 1.1171294e-05 -2213.3284 -2213.3284 -3384.0934 3384.0934 2850 1.4976523e-05 -2213.3345 -2213.3345 -3384.2272 3384.2272 2860 1.751662e-06 -2213.3368 -2213.3368 -3383.5075 3383.5075 2870 2.4126043e-07 -2213.337 -2213.337 -3383.3905 3383.3905 2880 4.9145933e-07 -2213.3372 -2213.3372 -3383.4441 3383.4441 2890 5.153062e-07 -2213.3372 -2213.3372 -3383.066 3383.066 2900 1.0612696e-08 -2213.3374 -2213.3374 -3383.3759 3383.3759 2910 3.85759e-08 -2213.3374 -2213.3374 -3383.4217 3383.4217 2919 1.2462127e-08 -2213.3374 -2213.3374 -3383.3959 3383.3959 Loop time of 0.167042 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31881486 -2213.33737769 -2213.33737894 Force two-norm initial, final = 0.450456 0.00558478 Force max component initial, final = 0.0680572 0.000504366 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.150906 (90.3401) Neigh time (%) = 0 (0) Comm time (%) = 0.0013566 (0.812132) Outpt time (%) = 0.00105762 (0.633149) Other time (%) = 0.0137219 (8.21467) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2919 0 -2213.3374 -2213.3374 -3383.3959 3383.3959 2920 2.1844275e-16 -2213.3374 -2213.3374 -3383.3959 3383.3959 Loop time of 0.00224519 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737894 -2213.33737894 -2213.33737894 Force two-norm initial, final = 0.00558478 0.00558478 Force max component initial, final = 0.000504366 0.000504366 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00201917 (89.9331) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.743337) Outpt time (%) = 0 (0) Other time (%) = 0.000209332 (9.32356) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.3265 -2213.3265 -3383.9419 3383.9419 2810 4.3769897e-11 -2213.3265 -2213.3265 -3383.9419 3383.9419 2820 4.7989778e-10 -2213.3265 -2213.3265 -3383.9421 3383.9421 2830 2.3428938e-09 -2213.3265 -2213.3265 -3383.9425 3383.9425 2840 1.2583954e-08 -2213.3265 -2213.3265 -3383.9451 3383.9451 2850 4.9331164e-08 -2213.3265 -2213.3265 -3383.9544 3383.9544 2860 2.3103034e-07 -2213.3266 -2213.3266 -3384.0008 3384.0008 2870 7.8303419e-07 -2213.3269 -2213.3269 -3384.1497 3384.1497 2880 2.3636495e-06 -2213.328 -2213.328 -3384.6289 3384.6289 2890 5.2587972e-06 -2213.3302 -2213.3302 -3384.6992 3384.6992 2900 1.0709181e-05 -2213.3347 -2213.3347 -3383.5166 3383.5166 2910 2.3803767e-07 -2213.337 -2213.337 -3383.0378 3383.0378 2920 3.9410095e-08 -2213.3372 -2213.3372 -3383.3162 3383.3162 2930 1.3366528e-08 -2213.3372 -2213.3372 -3383.2041 3383.2041 2940 9.2824718e-08 -2213.3373 -2213.3373 -3383.2453 3383.2453 2950 1.7447759e-07 -2213.3374 -2213.3374 -3383.3984 3383.3984 2955 1.2193459e-08 -2213.3374 -2213.3374 -3383.3974 3383.3974 Loop time of 0.151089 on 1 procs for 155 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32645411 -2213.33738141 -2213.33738297 Force two-norm initial, final = 0.225114 0.00509785 Force max component initial, final = 0.0338543 0.000389173 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 155 155 Pair time (%) = 0.136178 (90.1313) Neigh time (%) = 0 (0) Comm time (%) = 0.0012548 (0.830502) Outpt time (%) = 0.00100422 (0.664654) Other time (%) = 0.0126514 (8.37351) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2955 0 -2213.3374 -2213.3374 -3383.3974 3383.3974 2956 1.820118e-16 -2213.3374 -2213.3374 -3383.3974 3383.3974 Loop time of 0.0021019 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738297 -2213.33738297 -2213.33738297 Force two-norm initial, final = 0.00509785 0.00509785 Force max component initial, final = 0.000389173 0.000389173 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00187016 (88.9746) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.725953) Outpt time (%) = 0 (0) Other time (%) = 0.000216484 (10.2995) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2750 0 -2213.326 -2213.326 -3379.4072 3379.4072 2760 1.0874029e-10 -2213.326 -2213.326 -3379.4073 3379.4073 2770 1.1922393e-09 -2213.326 -2213.326 -3379.4083 3379.4083 2780 5.8206401e-09 -2213.326 -2213.326 -3379.4124 3379.4124 2790 3.1263392e-08 -2213.3261 -2213.3261 -3379.435 3379.435 2800 1.2258275e-07 -2213.3261 -2213.3261 -3379.517 3379.517 2810 5.7404422e-07 -2213.3264 -2213.3264 -3379.9265 3379.9265 2820 1.9486035e-06 -2213.3272 -2213.3272 -3381.2598 3381.2598 2830 5.2029969e-06 -2213.3293 -2213.3293 -3385.5307 3385.5307 2840 3.7925765e-06 -2213.3307 -2213.3307 -3383.0912 3383.0912 2850 5.7679406e-06 -2213.3336 -2213.3336 -3384.8578 3384.8578 2860 1.1590537e-06 -2213.3358 -2213.3358 -3383.5839 3383.5839 2870 3.361921e-07 -2213.336 -2213.336 -3383.1608 3383.1608 2880 9.1139052e-07 -2213.3364 -2213.3364 -3383.5053 3383.5053 2890 1.7262083e-06 -2213.3371 -2213.3371 -3383.4204 3383.4204 2900 2.1239119e-08 -2213.3373 -2213.3373 -3383.3925 3383.3925 2910 9.9527805e-08 -2213.3373 -2213.3373 -3383.3717 3383.3717 2919 1.9038751e-08 -2213.3374 -2213.3374 -3383.3962 3383.3962 Loop time of 0.163813 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3260462 -2213.3373502 -2213.33735231 Force two-norm initial, final = 0.354822 0.00866808 Force max component initial, final = 0.05243 0.000859367 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.148237 (90.4918) Neigh time (%) = 0 (0) Comm time (%) = 0.00137401 (0.838766) Outpt time (%) = 0.00104737 (0.639371) Other time (%) = 0.0131543 (8.03006) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2919 0 -2213.3374 -2213.3374 -3383.3962 3383.3962 2920 5.2622516e-16 -2213.3374 -2213.3374 -3383.3962 3383.3962 Loop time of 0.00219703 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735231 -2213.33735231 -2213.33735231 Force two-norm initial, final = 0.00866808 0.00866808 Force max component initial, final = 0.000859367 0.000859367 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.0019846 (90.331) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.672816) Outpt time (%) = 0 (0) Other time (%) = 0.000197649 (8.9962) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.3309 -2213.3309 -3376.2789 3376.2789 2810 1.0260923e-10 -2213.3309 -2213.3309 -3376.279 3376.279 2820 1.1250051e-09 -2213.3309 -2213.3309 -3376.2803 3376.2803 2830 5.492087e-09 -2213.3309 -2213.3309 -3376.2862 3376.2862 2840 2.9490239e-08 -2213.3309 -2213.3309 -3376.3186 3376.3186 2850 1.1549543e-07 -2213.3309 -2213.3309 -3376.4362 3376.4362 2860 5.3787277e-07 -2213.3312 -2213.3312 -3377.0239 3377.0239 2870 1.7824169e-06 -2213.332 -2213.332 -3378.9461 3378.9461 2880 3.9730856e-06 -2213.3336 -2213.3336 -3385.2485 3385.2485 2890 3.0157094e-06 -2213.3347 -2213.3347 -3383.1888 3383.1888 2900 3.6186903e-06 -2213.3359 -2213.3359 -3383.9255 3383.9255 2910 1.5204034e-06 -2213.337 -2213.337 -3383.6459 3383.6459 2920 1.2845762e-07 -2213.3371 -2213.3371 -3383.0974 3383.0974 2930 3.3702176e-07 -2213.3372 -2213.3372 -3383.2889 3383.2889 2940 3.6836329e-07 -2213.3373 -2213.3373 -3382.0768 3382.0768 2950 4.8212441e-09 -2213.3374 -2213.3374 -3383.4423 3383.4423 2960 1.2804756e-08 -2213.3374 -2213.3374 -3383.5568 3383.5568 2969 4.8589516e-09 -2213.3374 -2213.3374 -3383.3834 3383.3834 Loop time of 0.167518 on 1 procs for 169 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33085724 -2213.33738253 -2213.33738303 Force two-norm initial, final = 0.344674 0.00396779 Force max component initial, final = 0.0408801 0.000350596 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 169 169 Pair time (%) = 0.151441 (90.4027) Neigh time (%) = 0 (0) Comm time (%) = 0.00148773 (0.888102) Outpt time (%) = 0.00105309 (0.628645) Other time (%) = 0.0135365 (8.08059) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2969 0 -2213.3374 -2213.3374 -3383.3834 3383.3834 2970 1.1026136e-16 -2213.3374 -2213.3374 -3383.3834 3383.3834 Loop time of 0.00227714 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738303 -2213.33738303 -2213.33738303 Force two-norm initial, final = 0.00396779 0.00396779 Force max component initial, final = 0.000350596 0.000350596 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00204873 (89.9696) Neigh time (%) = 0 (0) Comm time (%) = 1.69277e-05 (0.743378) Outpt time (%) = 0 (0) Other time (%) = 0.000211477 (9.28699) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.3314 -2213.3314 -3377.9572 3377.9572 2860 1.237587e-10 -2213.3314 -2213.3314 -3377.9573 3377.9573 2870 1.3568791e-09 -2213.3314 -2213.3314 -3377.9583 3377.9583 2880 6.6239102e-09 -2213.3314 -2213.3314 -3377.9626 3377.9626 2890 3.5562622e-08 -2213.3314 -2213.3314 -3377.9864 3377.9864 2900 1.3921866e-07 -2213.3315 -2213.3315 -3378.0727 3378.0727 2910 6.4669419e-07 -2213.3318 -2213.3318 -3378.504 3378.504 2920 2.1297316e-06 -2213.3327 -2213.3327 -3379.9122 3379.9122 2930 4.4686867e-06 -2213.3345 -2213.3345 -3384.4417 3384.4417 2940 3.6349793e-06 -2213.3358 -2213.3358 -3382.8969 3382.8969 2950 2.7151763e-06 -2213.3365 -2213.3365 -3384.9505 3384.9505 2960 1.2259107e-06 -2213.337 -2213.337 -3383.5232 3383.5232 2970 2.1278215e-07 -2213.3371 -2213.3371 -3383.7222 3383.7222 2980 3.1376215e-07 -2213.3373 -2213.3373 -3383.4809 3383.4809 2990 4.4583317e-08 -2213.3373 -2213.3373 -3382.6987 3382.6987 3000 1.0474313e-08 -2213.3374 -2213.3374 -3383.5575 3383.5575 3010 3.1117119e-08 -2213.3374 -2213.3374 -3383.4501 3383.4501 3020 6.1240054e-08 -2213.3374 -2213.3374 -3383.5881 3383.5881 3030 1.3849376e-09 -2213.3374 -2213.3374 -3383.3558 3383.3558 3033 2.2951125e-09 -2213.3374 -2213.3374 -3383.3899 3383.3899 Loop time of 0.183207 on 1 procs for 183 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33141383 -2213.33738516 -2213.33738528 Force two-norm initial, final = 0.378533 0.00271411 Force max component initial, final = 0.0398322 0.000242302 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 183 183 Pair time (%) = 0.166637 (90.9557) Neigh time (%) = 0 (0) Comm time (%) = 0.001477 (0.806193) Outpt time (%) = 0.00118446 (0.646516) Other time (%) = 0.0139084 (7.59162) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3033 0 -2213.3374 -2213.3374 -3383.3899 3383.3899 3034 5.1591787e-17 -2213.3374 -2213.3374 -3383.3899 3383.3899 Loop time of 0.00223398 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33738528 -2213.33738528 -2213.33738528 Force two-norm initial, final = 0.00271411 0.00271411 Force max component initial, final = 0.000242302 0.000242302 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192904 (86.3501) Neigh time (%) = 0 (0) Comm time (%) = 1.4782e-05 (0.661686) Outpt time (%) = 0 (0) Other time (%) = 0.000290155 (12.9883) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2800 0 -2213.3216 -2213.3216 -3391.2566 3391.2566 2810 8.3664862e-11 -2213.3216 -2213.3216 -3391.2565 3391.2565 2820 9.1731011e-10 -2213.3216 -2213.3216 -3391.2556 3391.2556 2830 4.4783966e-09 -2213.3216 -2213.3216 -3391.2519 3391.2519 2840 2.4054078e-08 -2213.3216 -2213.3216 -3391.2317 3391.2317 2850 9.4309413e-08 -2213.3217 -2213.3217 -3391.1581 3391.1581 2860 4.4164189e-07 -2213.3219 -2213.3219 -3390.7875 3390.7875 2870 1.4965201e-06 -2213.3226 -2213.3226 -3389.5382 3389.5382 2880 3.9909842e-06 -2213.3242 -2213.3242 -3384.7705 3384.7705 2890 3.5991798e-06 -2213.3258 -2213.3258 -3384.5109 3384.5109 2900 1.072161e-05 -2213.3309 -2213.3309 -3382.0583 3382.0583 2910 1.0742395e-06 -2213.3355 -2213.3355 -3380.0702 3380.0702 2920 7.0932074e-07 -2213.3365 -2213.3365 -3383.6359 3383.6359 2930 7.4342724e-08 -2213.3366 -2213.3366 -3383.3419 3383.3419 2940 5.4517328e-07 -2213.3369 -2213.3369 -3383.3672 3383.3672 2950 6.3663706e-07 -2213.3373 -2213.3373 -3383.3366 3383.3366 2960 3.7174647e-08 -2213.3373 -2213.3373 -3383.3605 3383.3605 2962 5.3857641e-08 -2213.3373 -2213.3373 -3383.372 3383.372 Loop time of 0.160011 on 1 procs for 162 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32163202 -2213.33734379 -2213.33734972 Force two-norm initial, final = 0.311234 0.00952052 Force max component initial, final = 0.0327328 0.000822605 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 162 162 Pair time (%) = 0.14547 (90.9124) Neigh time (%) = 0 (0) Comm time (%) = 0.0013721 (0.857503) Outpt time (%) = 0.00107694 (0.673039) Other time (%) = 0.0120921 (7.55705) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2962 0 -2213.3373 -2213.3373 -3383.372 3383.372 2963 6.7962949e-16 -2213.3373 -2213.3373 -3383.372 3383.372 Loop time of 0.00215006 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734972 -2213.33734972 -2213.33734972 Force two-norm initial, final = 0.00985083 0.00985083 Force max component initial, final = 0.000904224 0.000904224 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00193501 (89.9978) Neigh time (%) = 0 (0) Comm time (%) = 1.38283e-05 (0.643158) Outpt time (%) = 0 (0) Other time (%) = 0.000201225 (9.35906) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2850 0 -2213.3282 -2213.3282 -3385.0592 3385.0592 2860 5.1761596e-11 -2213.3282 -2213.3282 -3385.0592 3385.0592 2870 5.6752669e-10 -2213.3282 -2213.3282 -3385.0591 3385.0591 2880 2.7708741e-09 -2213.3282 -2213.3282 -3385.059 3385.059 2890 1.4887386e-08 -2213.3282 -2213.3282 -3385.058 3385.058 2900 5.8434305e-08 -2213.3282 -2213.3282 -3385.0543 3385.0543 2910 2.7523623e-07 -2213.3284 -2213.3284 -3385.0356 3385.0356 2920 9.5148188e-07 -2213.3288 -2213.3288 -3384.9692 3384.9692 2930 2.8392443e-06 -2213.33 -2213.33 -3384.6547 3384.6547 2940 2.438559e-06 -2213.3311 -2213.3311 -3384.3239 3384.3239 2950 7.2149226e-06 -2213.3341 -2213.3341 -3383.8264 3383.8264 2960 2.7775271e-07 -2213.3371 -2213.3371 -3383.3991 3383.3991 2970 8.6025899e-08 -2213.3372 -2213.3372 -3383.2274 3383.2274 2980 1.2069978e-07 -2213.3373 -2213.3373 -3383.3294 3383.3294 2990 2.3864114e-08 -2213.3374 -2213.3374 -3383.492 3383.492 2992 4.39104e-08 -2213.3374 -2213.3374 -3383.3663 3383.3663 Loop time of 0.141095 on 1 procs for 142 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32819256 -2213.33735644 -2213.33735908 Force two-norm initial, final = 0.244804 0.00769169 Force max component initial, final = 0.0243447 0.00100171 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 142 142 Pair time (%) = 0.128144 (90.821) Neigh time (%) = 0 (0) Comm time (%) = 0.00121498 (0.861108) Outpt time (%) = 0.000941515 (0.667291) Other time (%) = 0.0107946 (7.65061) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2992 0 -2213.3374 -2213.3374 -3383.3663 3383.3663 2993 4.1435228e-16 -2213.3374 -2213.3374 -3383.3663 3383.3663 Loop time of 0.00215292 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33735908 -2213.33735908 -2213.33735908 Force two-norm initial, final = 0.00769169 0.00769169 Force max component initial, final = 0.00100171 0.00100171 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00193381 (89.8228) Neigh time (%) = 0 (0) Comm time (%) = 1.57356e-05 (0.730897) Outpt time (%) = 0 (0) Other time (%) = 0.000203371 (9.44629) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2900 0 -2213.3197 -2213.3197 -3384.4148 3384.4148 2910 9.1962604e-11 -2213.3197 -2213.3197 -3384.4148 3384.4148 2920 1.0083067e-09 -2213.3197 -2213.3197 -3384.415 3384.415 2930 4.9230692e-09 -2213.3197 -2213.3197 -3384.4155 3384.4155 2940 2.6454919e-08 -2213.3197 -2213.3197 -3384.4182 3384.4182 2950 1.0390032e-07 -2213.3198 -2213.3198 -3384.428 3384.428 2960 4.9087825e-07 -2213.32 -2213.32 -3384.4768 3384.4768 2970 1.7176318e-06 -2213.3208 -2213.3208 -3384.6305 3384.6305 2980 5.5888481e-06 -2213.3232 -2213.3232 -3385.0631 3385.0631 2990 6.6581618e-06 -2213.326 -2213.326 -3384.6532 3384.6532 3000 1.3163853e-05 -2213.3312 -2213.3312 -3383.9723 3383.9723 3010 4.8518496e-07 -2213.3367 -2213.3367 -3383.0554 3383.0554 3020 1.6271891e-07 -2213.337 -2213.337 -3383.4287 3383.4287 3030 3.1445978e-07 -2213.3372 -2213.3372 -3383.303 3383.303 3040 4.9317676e-08 -2213.3373 -2213.3373 -3383.3409 3383.3409 3050 1.4354104e-08 -2213.3373 -2213.3373 -3383.3781 3383.3781 3059 4.2296567e-08 -2213.3373 -2213.3373 -3383.3836 3383.3836 Loop time of 0.154929 on 1 procs for 159 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.31969249 -2213.337339 -2213.33734323 Force two-norm initial, final = 0.326303 0.00695975 Force max component initial, final = 0.0551335 0.00051261 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 159 159 Pair time (%) = 0.141074 (91.0574) Neigh time (%) = 0 (0) Comm time (%) = 0.0012846 (0.829154) Outpt time (%) = 0.000987291 (0.637254) Other time (%) = 0.0115829 (7.47624) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3059 0 -2213.3373 -2213.3373 -3383.3836 3383.3836 3060 3.3924476e-16 -2213.3373 -2213.3373 -3383.3836 3383.3836 Loop time of 0.00219584 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33734323 -2213.33734323 -2213.33734323 Force two-norm initial, final = 0.00695975 0.00695975 Force max component initial, final = 0.00051261 0.00051261 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00197887 (90.1194) Neigh time (%) = 0 (0) Comm time (%) = 1.90735e-05 (0.868621) Outpt time (%) = 0 (0) Other time (%) = 0.000197887 (9.01194) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2850 0 -2212.763 -2212.763 -3609.4401 3609.4401 2860 1.0492307e-09 -2212.763 -2212.763 -3609.4399 3609.4399 2870 1.1503796e-08 -2212.763 -2212.763 -3609.4374 3609.4374 2880 5.6161438e-08 -2212.763 -2212.763 -3609.4269 3609.4269 2890 3.0160525e-07 -2212.7632 -2212.7632 -3609.3691 3609.3691 2900 1.1820478e-06 -2212.7637 -2212.7637 -3609.1577 3609.1577 2910 5.5202012e-06 -2212.7663 -2212.7663 -3608.0724 3608.0724 2920 1.8586085e-05 -2212.7743 -2212.7743 -3604.1308 3604.1308 2930 4.4395434e-05 -2212.7916 -2212.7916 -3584.0283 3584.0283 2940 3.2225388e-05 -2212.8025 -2212.8025 -3562.734 3562.734 2950 3.4003289e-05 -2212.8151 -2212.8151 -3538.9298 3538.9298 2960 1.7112983e-05 -2212.8238 -2212.8238 -3536.9584 3536.9584 2970 1.137284e-06 -2212.8256 -2212.8256 -3534.0292 3534.0292 2980 2.0441535e-06 -2212.8264 -2212.8264 -3536.9608 3536.9608 2990 2.7347902e-07 -2212.8268 -2212.8268 -3540.4809 3540.4809 3000 6.7523294e-08 -2212.8269 -2212.8269 -3540.3781 3540.3781 3010 2.8994981e-07 -2212.827 -2212.827 -3540.4676 3540.4676 3020 3.510261e-08 -2212.8271 -2212.8271 -3540.1321 3540.1321 3030 7.3206587e-09 -2212.8271 -2212.8271 -3540.113 3540.113 3040 3.7709388e-08 -2212.8272 -2212.8272 -3540.033 3540.033 3048 1.2552992e-07 -2212.8272 -2212.8272 -3539.7333 3539.7333 Loop time of 0.195716 on 1 procs for 198 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.76298089 -2212.82720184 -2212.82721253 Force two-norm initial, final = 1.10218 0.00991086 Force max component initial, final = 0.243689 0.000764141 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 198 198 Pair time (%) = 0.179228 (91.5756) Neigh time (%) = 0 (0) Comm time (%) = 0.00159526 (0.815089) Outpt time (%) = 0.00124979 (0.638574) Other time (%) = 0.0136428 (6.97071) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 3048 0 -2212.8272 -2212.8272 -3539.7333 3539.7333 3050 2.8506689e-15 -2212.8272 -2212.8272 -3539.7333 3539.7333 3060 1.4957316e-13 -2212.8272 -2212.8272 -3539.7333 3539.7333 3070 1.4028572e-12 -2212.8272 -2212.8272 -3539.7333 3539.7333 3080 6.4845726e-12 -2212.8272 -2212.8272 -3539.7333 3539.7333 3090 3.4552569e-11 -2212.8272 -2212.8272 -3539.7332 3539.7332 3100 1.3374305e-10 -2212.8272 -2212.8272 -3539.7329 3539.7329 3110 6.4760731e-10 -2212.8272 -2212.8272 -3539.7312 3539.7312 3115 1.2097023e-09 -2212.8272 -2212.8272 -3539.7293 3539.7293 Loop time of 0.0674729 on 1 procs for 67 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2212.82721253 -2212.82721314 -2212.82721322 Force two-norm initial, final = 0.0100874 0.00999068 Force max component initial, final = 0.000875964 0.000863406 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 67 67 Pair time (%) = 0.0617516 (91.5206) Neigh time (%) = 0 (0) Comm time (%) = 0.000549316 (0.814129) Outpt time (%) = 0.000459433 (0.680914) Other time (%) = 0.00471258 (6.9844) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 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 = 4.28247 Mbytes Step Temp PotEng pe Press press 2900 0 -2213.3262 -2213.3262 -3389.4062 3389.4062 2910 5.9991503e-11 -2213.3262 -2213.3262 -3389.4061 3389.4061 2920 6.5775441e-10 -2213.3262 -2213.3262 -3389.4054 3389.4054 2930 3.2112495e-09 -2213.3262 -2213.3262 -3389.4021 3389.4021 2940 1.7248963e-08 -2213.3262 -2213.3262 -3389.3845 3389.3845 2950 6.764087e-08 -2213.3263 -2213.3263 -3389.3202 3389.3202 2960 3.1710654e-07 -2213.3264 -2213.3264 -3388.9968 3388.9968 2970 1.0803082e-06 -2213.3269 -2213.3269 -3387.915 3387.915 2980 3.1663785e-06 -2213.3283 -2213.3283 -3383.9522 3383.9522 2990 5.7913122e-06 -2213.3306 -2213.3306 -3384.0264 3384.0264 3000 1.0918104e-05 -2213.3353 -2213.3353 -3382.2259 3382.2259 3010 5.5366342e-07 -2213.3371 -2213.3371 -3380.4443 3380.4443 3020 8.0612635e-08 -2213.3373 -2213.3373 -3383.4244 3383.4244 3030 1.1962461e-07 -2213.3374 -2213.3374 -3383.5351 3383.5351 3040 1.2661151e-08 -2213.3374 -2213.3374 -3383.3305 3383.3305 3050 2.3666466e-08 -2213.3374 -2213.3374 -3383.4909 3383.4909 3052 3.1581381e-08 -2213.3374 -2213.3374 -3383.4589 3383.4589 Loop time of 0.152909 on 1 procs for 152 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.3262134 -2213.33737531 -2213.33737831 Force two-norm initial, final = 0.263548 0.00525831 Force max component initial, final = 0.043439 0.000504567 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 152 152 Pair time (%) = 0.139029 (90.9227) Neigh time (%) = 0 (0) Comm time (%) = 0.00123119 (0.80518) Outpt time (%) = 0.000988483 (0.646452) Other time (%) = 0.0116603 (7.62567) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3052 0 -2213.3374 -2213.3374 -3383.4589 3383.4589 3053 1.9365056e-16 -2213.3374 -2213.3374 -3383.4589 3383.4589 Loop time of 0.0020771 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737831 -2213.33737831 -2213.33737831 Force two-norm initial, final = 0.00525831 0.00525831 Force max component initial, final = 0.000504567 0.000504567 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185108 (89.1185) Neigh time (%) = 0 (0) Comm time (%) = 1.45435e-05 (0.700184) Outpt time (%) = 0 (0) Other time (%) = 0.000211477 (10.1814) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 2950 0 -2213.3243 -2213.3243 -3390.9473 3390.9473 2960 1.184482e-10 -2213.3243 -2213.3243 -3390.9472 3390.9472 2970 1.2986599e-09 -2213.3243 -2213.3243 -3390.9464 3390.9464 2980 6.3397771e-09 -2213.3243 -2213.3243 -3390.9427 3390.9427 2990 3.4039953e-08 -2213.3243 -2213.3243 -3390.9229 3390.9229 3000 1.3328801e-07 -2213.3243 -2213.3243 -3390.8507 3390.8507 3010 6.2010031e-07 -2213.3246 -2213.3246 -3390.4858 3390.4858 3020 2.0510181e-06 -2213.3255 -2213.3255 -3389.2402 3389.2402 3030 4.7691708e-06 -2213.3275 -2213.3275 -3384.3457 3384.3457 3040 6.5801376e-06 -2213.33 -2213.33 -3383.6828 3383.6828 3050 1.0950952e-05 -2213.3349 -2213.3349 -3381.8089 3381.8089 3060 1.5763877e-06 -2213.3369 -2213.3369 -3383.7634 3383.7634 3070 1.7574687e-07 -2213.337 -2213.337 -3383.4546 3383.4546 3080 3.5316683e-07 -2213.3371 -2213.3371 -3383.4189 3383.4189 3090 4.7320042e-08 -2213.3373 -2213.3373 -3383.3601 3383.3601 3100 1.2395149e-08 -2213.3373 -2213.3373 -3383.4087 3383.4087 3110 4.9636984e-08 -2213.3373 -2213.3373 -3383.3937 3383.3937 3120 1.1899935e-07 -2213.3374 -2213.3374 -3383.3788 3383.3788 3125 3.1641557e-08 -2213.3374 -2213.3374 -3383.4002 3383.4002 Loop time of 0.171276 on 1 procs for 175 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32425052 -2213.33737124 -2213.33737471 Force two-norm initial, final = 0.370323 0.00545406 Force max component initial, final = 0.0384054 0.000453125 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 175 175 Pair time (%) = 0.154355 (90.1205) Neigh time (%) = 0 (0) Comm time (%) = 0.00139642 (0.815302) Outpt time (%) = 0.00110745 (0.64659) Other time (%) = 0.0144174 (8.41764) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3125 0 -2213.3374 -2213.3374 -3383.4002 3383.4002 3126 2.0833675e-16 -2213.3374 -2213.3374 -3383.4002 3383.4002 Loop time of 0.00207901 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737471 -2213.33737471 -2213.33737471 Force two-norm initial, final = 0.00545406 0.00545406 Force max component initial, final = 0.000453125 0.000453125 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00185227 (89.094) Neigh time (%) = 0 (0) Comm time (%) = 1.66893e-05 (0.802752) Outpt time (%) = 0 (0) Other time (%) = 0.000210047 (10.1032) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3000 0 -2213.3211 -2213.3211 -3392.4563 3392.4563 3010 1.3626675e-10 -2213.3211 -2213.3211 -3392.4563 3392.4563 3020 1.4940133e-09 -2213.3211 -2213.3211 -3392.4553 3392.4553 3030 7.2932656e-09 -2213.3211 -2213.3211 -3392.4511 3392.4511 3040 3.9154112e-08 -2213.3211 -2213.3211 -3392.4283 3392.4283 3050 1.5323391e-07 -2213.3212 -2213.3212 -3392.3451 3392.3451 3060 7.1101167e-07 -2213.3215 -2213.3215 -3391.9246 3391.9246 3070 2.326522e-06 -2213.3225 -2213.3225 -3390.4871 3390.4871 3080 4.882061e-06 -2213.3245 -2213.3245 -3384.8546 3384.8546 3090 6.7174193e-06 -2213.3272 -2213.3272 -3384.4494 3384.4494 3100 1.4327697e-05 -2213.3338 -2213.3338 -3381.1908 3381.1908 3110 1.9900872e-06 -2213.3368 -2213.3368 -3383.5927 3383.5927 3120 2.0810268e-07 -2213.3368 -2213.3368 -3383.1998 3383.1998 3130 4.2449745e-07 -2213.337 -2213.337 -3383.3207 3383.3207 3140 9.9993671e-07 -2213.3372 -2213.3372 -3383.6979 3383.6979 3150 8.7628341e-09 -2213.3373 -2213.3373 -3383.4559 3383.4559 3160 3.9380468e-08 -2213.3374 -2213.3374 -3383.4155 3383.4155 3170 8.9346972e-09 -2213.3374 -2213.3374 -3383.3487 3383.3487 3172 2.6114415e-08 -2213.3374 -2213.3374 -3383.3759 3383.3759 Loop time of 0.169301 on 1 procs for 172 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.32111072 -2213.33737674 -2213.33737958 Force two-norm initial, final = 0.397202 0.00546314 Force max component initial, final = 0.0607124 0.000459025 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 172 172 Pair time (%) = 0.152452 (90.0482) Neigh time (%) = 0 (0) Comm time (%) = 0.00146413 (0.864808) Outpt time (%) = 0.0011549 (0.682157) Other time (%) = 0.0142295 (8.40487) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Memory usage per processor = 4.28247 Mbytes Step Temp PotEng pe Press press 3172 0 -2213.3374 -2213.3374 -3383.3759 3383.3759 3173 2.090311e-16 -2213.3374 -2213.3374 -3383.3759 3383.3759 Loop time of 0.002141 on 1 procs for 1 steps with 511 atoms Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = -2213.33737958 -2213.33737958 -2213.33737958 Force two-norm initial, final = 0.00546314 0.00546314 Force max component initial, final = 0.000459025 0.000459025 Final line search alpha, max atom move = 0 0 Iterations, force evaluations = 1 1 Pair time (%) = 0.00192499 (89.9109) Neigh time (%) = 0 (0) Comm time (%) = 1.52588e-05 (0.712695) Outpt time (%) = 0 (0) Other time (%) = 0.000200748 (9.37639) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0 Loop time of 39.1789 on 1 procs for 22 steps with 511 atoms TAD stats: NEB time (%) = 18.1759 (46.3922) Dynamics time (%) = 0 (0) Quench time (%) = 0 (0) Comm time (%) = 0 (0) Output time (%) = 0 (0) Other time (%) = 21.0029 (53.6078) Nlocal: 511 ave 511 max 511 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1017 ave 1017 max 1017 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 14256 ave 14256 max 14256 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14256 Ave neighs/atom = 27.8982 Neighbor list builds = 0 Dangerous builds = 0