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LAMMPS (1 Feb 2014)
Processor partition = 1
# temperature accelerated dynamics model for a single vacancy in bulk Si
# events occur when a neighboring atom diffuses to the vacant site
# run this on multiple partitions as
# mpirun -np 3 lmp_g++ -partition 3x1 -in in.tad
units metal
atom_style atomic
atom_modify map array
boundary p p p
atom_modify sort 0 0.0
# temperatures
variable tlo equal 1800.0
variable thi equal 2400.0
# coordination number cutoff
variable r equal 2.835
# minimization parameters
variable etol equal 1.0e-5
variable ftol equal 1.0e-5
variable maxiter equal 100
variable maxeval equal 100
variable dmax equal 1.0e-1
# diamond unit cell
variable a equal 5.431
lattice custom $a a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.0 0.0 0.0 basis 0.0 0.5 0.5 basis 0.5 0.0 0.5 basis 0.5 0.5 0.0 basis 0.25 0.25 0.25 basis 0.25 0.75 0.75 basis 0.75 0.25 0.75 basis 0.75 0.75 0.25
lattice custom 5.431 a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.0 0.0 0.0 basis 0.0 0.5 0.5 basis 0.5 0.0 0.5 basis 0.5 0.5 0.0 basis 0.25 0.25 0.25 basis 0.25 0.75 0.75 basis 0.75 0.25 0.75 basis 0.75 0.75 0.25
Lattice spacing in x,y,z = 5.431 5.431 5.431
region myreg block 0 4 0 4 0 4
create_box 1 myreg
Created orthogonal box = (0 0 0) to (21.724 21.724 21.724)
1 by 1 by 1 MPI processor grid
create_atoms 1 region myreg
Created 512 atoms
mass 1 28.06
group Si type 1
512 atoms in group Si
velocity all create ${thi} 5287286 mom yes rot yes dist gaussian
velocity all create 2400 5287286 mom yes rot yes dist gaussian
# make a vacancy
group del id 300
1 atoms in group del
delete_atoms group del
Deleted 1 atoms, new total = 511
pair_style sw
pair_coeff * * Si.sw Si
thermo 10
fix 1 all nve
fix 2 all langevin ${thi} ${thi} 0.1 48278
fix 2 all langevin 2400 ${thi} 0.1 48278
fix 2 all langevin 2400 2400 0.1 48278
timestep 1.0e-3
neighbor 1.0 bin
neigh_modify every 1 delay 10 check yes
# equilibrate
run 1000
Memory usage per processor = 2.0318 Mbytes
Step Temp E_pair E_mol TotEng Press
0 2397.3877 -2211.666 0 -2053.6238 16437.395
10 1408.3954 -2139.6418 0 -2046.7966 19704.911
20 1093.6239 -2098.8191 0 -2026.7244 19039.499
30 1697.5623 -2125.7046 0 -2013.7967 14407.763
40 1432.3638 -2098.9446 0 -2004.5194 13762.586
50 1355.5121 -2075.899 0 -1986.54 15232.765
60 1740.8873 -2091.9136 0 -1977.1496 12856.126
70 1729.3154 -2080.3289 0 -1966.3278 13304.077
80 1544.9927 -2060.2808 0 -1958.4307 14545.574
90 1856.846 -2074.3867 0 -1951.9784 14679.213
100 1926.6837 -2075.6481 0 -1948.6359 15581.373
110 1952.0127 -2066.2941 0 -1937.6122 17867.407
120 2127.5273 -2070.5556 0 -1930.3033 18800.477
130 2263.2625 -2070.7786 0 -1921.5783 17480.258
140 2108.2074 -2055.1663 0 -1916.1876 18061.09
150 2108.0709 -2056.9914 0 -1918.0217 16185.697
160 2250.38 -2061.9776 0 -1913.6265 14775.208
170 2094.3406 -2051.5912 0 -1913.5267 15618.246
180 2133.2342 -2054.0585 0 -1913.43 14703.698
190 2167.8664 -2054.4793 0 -1911.5678 14412.634
200 2081.1592 -2044.2284 0 -1907.0328 16067.013
210 2193.7422 -2046.2424 0 -1901.6251 17491.305
220 2402.1726 -2058.7802 0 -1900.4225 16445.048
230 2236.7528 -2050.463 0 -1903.0103 15555.164
240 2073.9668 -2040.1169 0 -1903.3955 14943.188
250 2257.4854 -2050.8203 0 -1902.0008 15445.431
260 2315.568 -2051.1362 0 -1898.4877 16359.564
270 2262.0937 -2049.0576 0 -1899.9343 15948.584
280 2309.251 -2049.7917 0 -1897.5597 14754.994
290 2222.9618 -2047.2347 0 -1900.6911 14707.58
300 2150.8078 -2041.3575 0 -1899.5705 16172.518
310 2228.9047 -2040.8171 0 -1893.8817 17426.066
320 2376.2682 -2048.5423 0 -1891.8923 15802.606
330 2320.7227 -2042.4295 0 -1889.4413 16474.996
340 2310.4682 -2042.508 0 -1890.1957 16597.877
350 2466.8374 -2045.3922 0 -1882.7716 17771.513
360 2382.7707 -2044.9519 0 -1887.8733 16757.953
370 2318.9975 -2047.2097 0 -1894.3352 15267.698
380 2227.9435 -2038.9468 0 -1892.0748 15167.633
390 2241.238 -2035.6191 0 -1887.8707 16413.388
400 2298.3869 -2035.5143 0 -1883.9985 17573.361
410 2439.1094 -2041.2185 0 -1880.4259 17417.366
420 2438.0816 -2040.4181 0 -1879.6933 17000.799
430 2419.621 -2039.4524 0 -1879.9446 17277.841
440 2400.3962 -2036.392 0 -1878.1515 17353.749
450 2400.084 -2034.8541 0 -1876.6341 17301.395
460 2443.232 -2038.2591 0 -1877.1947 15880.125
470 2399.563 -2032.3026 0 -1874.117 14524.504
480 2379.1642 -2028.2813 0 -1871.4404 15080.571
490 2257.134 -2030.7105 0 -1881.9142 13267.538
500 2303.4365 -2033.254 0 -1881.4053 13303.626
510 2224.8834 -2029.9027 0 -1883.2324 15142.358
520 2259.6418 -2032.3898 0 -1883.4281 14426.825
530 2244.3528 -2036.563 0 -1888.6093 13611.835
540 2289.2186 -2033.577 0 -1882.6656 14593.524
550 2314.1805 -2030.4002 0 -1877.8432 16550.978
560 2434.1597 -2038.2171 0 -1877.7507 15320.174
570 2356.8023 -2033.9511 0 -1878.5843 15767.645
580 2448.0436 -2037.9988 0 -1876.6172 15958.914
590 2483.692 -2034.8435 0 -1871.1118 16533.816
600 2428.7684 -2032.2828 0 -1872.1719 17139.354
610 2369.1226 -2030.2599 0 -1874.081 15171.807
620 2351.8958 -2032.3817 0 -1877.3384 12759.907
630 2419.4363 -2037.1648 0 -1877.6691 12759.528
640 2306.8968 -2027.1601 0 -1875.0833 13699.543
650 2240.4669 -2023.1048 0 -1875.4073 14586.771
660 2303.5839 -2027.6735 0 -1875.8151 15077.465
670 2379.955 -2030.0505 0 -1873.1575 15633.06
680 2354.1404 -2030.6415 0 -1875.4502 16414.371
690 2427.7365 -2032.9922 0 -1872.9493 17097.223
700 2475.846 -2034.693 0 -1871.4786 18851.309
710 2456.3338 -2031.7442 0 -1869.8161 19487.645
720 2447.4768 -2037.4819 0 -1876.1377 17474.031
730 2435.1585 -2037.6942 0 -1877.162 16882.364
740 2391.3302 -2037.1798 0 -1879.5369 16071.534
750 2326.452 -2029.9922 0 -1876.6263 16117.229
760 2257.6714 -2022.4776 0 -1873.6458 17738.278
770 2371.2269 -2027.8008 0 -1871.4832 18100.791
780 2407.1838 -2030.3917 0 -1871.7037 17026.917
790 2367.9404 -2026.9448 0 -1870.8438 16038.578
800 2374.6123 -2033.0121 0 -1876.4713 14038.371
810 2424.6786 -2036.3506 0 -1876.5093 14206.078
820 2168.9017 -2026.7054 0 -1883.7256 16263.054
830 2323.0047 -2033.1056 0 -1879.967 17703.971
840 2498.7372 -2040.984 0 -1876.2606 17876.907
850 2460.7818 -2036.0467 0 -1873.8254 18545.104
860 2492.3205 -2034.6257 0 -1870.3253 19534.056
870 2575.2601 -2040.6532 0 -1870.8852 18719.18
880 2401.7961 -2030.4479 0 -1872.1151 17576.352
890 2386.7565 -2029.1495 0 -1871.8081 16681.21
900 2331.1129 -2028.8907 0 -1875.2175 14827.322
910 2414.7425 -2029.6198 0 -1870.4335 15192.331
920 2454.6751 -2027.6775 0 -1865.8587 15974.309
930 2428.2206 -2031.2363 0 -1871.1615 16206.415
940 2338.8519 -2027.1405 0 -1872.9572 15790.925
950 2342.8708 -2025.5463 0 -1871.0979 14662.456
960 2446.3658 -2027.9008 0 -1866.6298 16178.407
970 2479.8875 -2029.3424 0 -1865.8616 15827.32
980 2477.0203 -2028.29 0 -1864.9982 14789.439
990 2409.3478 -2024.9793 0 -1866.1486 14519.793
1000 2403.9699 -2022.9475 0 -1864.4714 15470.426
Loop time of 2.31311 on 1 procs for 1000 steps with 511 atoms
Pair time (%) = 2.2278 (96.312)
Neigh time (%) = 0.0388269 (1.67856)
Comm time (%) = 0.00949049 (0.410292)
Outpt time (%) = 0.000833035 (0.0360136)
Other time (%) = 0.0361559 (1.56309)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1021 ave 1021 max 1021 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 13046 ave 13046 max 13046 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13046
Ave neighs/atom = 25.5303
Neighbor list builds = 56
Dangerous builds = 0
# Eliminate COM motion
velocity all zero linear
# only output atoms near vacancy
compute coord all coord/atom $r
compute coord all coord/atom 2.835
#dump events all custom 1 dump.prd id type x y z
#dump_modify events thresh c_coord != 4
compute patom all pe/atom
compute pe all reduce sum c_patom
compute satom all stress/atom
compute str all reduce sum c_satom[1] c_satom[2] c_satom[3]
variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol)
thermo_style custom step temp pe c_pe press v_press
compute event all event/displace 1.0
unfix 1
unfix 2
fix 1 all nvt temp ${thi} ${thi} 0.1
fix 1 all nvt temp 2400 ${thi} 0.1
fix 1 all nvt temp 2400 2400 0.1
# tad nsteps nevent tlo thi delta_conf tmax compute
# [min etol ftol niter neval]
# [neb etol_neb ftol_neb n1steps n2steps nevery]
# [neb_style min_style]
# [neb_log logfile]
tad 2000 50 ${tlo} ${thi} 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb
tad 2000 50 1800 ${thi} 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1e-05 ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1e-05 1e-05 ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1e-05 1e-05 100 ${maxeval} neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1e-05 1e-05 100 100 neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21
1010 2402.628 -2209.0552 -2209.0552 13124.77 -13124.77
1020 2402.628 -2213.2419 -2213.2419 13109.348 -13109.348
1022 2402.628 -2213.2803 -2213.2803 13111.643 -13111.643
Loop time of 0.0568161 on 1 procs for 22 steps with 511 atoms
Minimization stats:
Stopping criterion = energy tolerance
Energy initial, next-to-last, final =
-2022.94753371 -2213.26863148 -2213.28029768
Force two-norm initial, final = 70.3784 0.377272
Force max component initial, final = 5.75308 0.037084
Final line search alpha, max atom move = 0.0625 0.00231775
Iterations, force evaluations = 22 50
Pair time (%) = 2.28194 (4016.37)
Neigh time (%) = 0.0401781 (70.716)
Comm time (%) = 0.00995302 (17.518)
Outpt time (%) = 0.000968218 (1.70413)
Other time (%) = -2.27623 (-4006.31)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 2
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1150 0 -2208.1718 -2208.1718 -3227.0211 3227.0211
1160 9.339049 -2208.7139 -2208.7139 -3303.3738 3303.3738
1170 26.319732 -2210.2079 -2210.2079 -3606.5404 3606.5404
1180 38.754197 -2211.2879 -2211.2879 -3107.5716 3107.5716
1190 131.62115 -2203.5588 -2203.5588 -3474.9592 3474.9592
1200 28.265826 -2208.2422 -2208.2422 -3889.2234 3889.2234
1210 3.3362767 -2208.9504 -2208.9504 -4062.5022 4062.5022
1220 23.534079 -2210.9414 -2210.9414 -3516.7741 3516.7741
1230 6.3960767 -2212.4629 -2212.4629 -3406.7057 3406.7057
1240 1.1288494 -2212.8954 -2212.8954 -3403.0698 3403.0698
1250 4.7297997 -2213.0429 -2213.0429 -3350.834 3350.834
1260 0.055385466 -2213.2538 -2213.2538 -3389.4258 3389.4258
1270 1.1333373 -2213.2784 -2213.2784 -3379.6668 3379.6668
1280 0.0087494567 -2213.2429 -2213.2429 -3389.3408 3389.3408
1290 0.031264789 -2213.2468 -2213.2468 -3388.2541 3388.2541
1300 0.0079481058 -2213.2465 -2213.2465 -3388.2831 3388.2831
1310 0.032898273 -2213.2419 -2213.2419 -3387.7037 3387.7037
1320 3.610966e-05 -2213.2384 -2213.2384 -3388.4585 3388.4585
1330 0.0017151963 -2213.2382 -2213.2382 -3388.557 3388.557
1340 0.0047601944 -2213.2371 -2213.2371 -3388.8899 3388.8899
1350 1.9535421e-05 -2213.2372 -2213.2372 -3388.9806 3388.9806
Loop time of 0.207195 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2208.17179809 -2213.23721478 -2213.23723131
Force two-norm initial, final = 11.6554 0.00915344
Force max component initial, final = 6.62337 0.00122829
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.181967 (87.8238)
Neigh time (%) = 0.00267339 (1.29028)
Comm time (%) = 0.00176573 (0.852206)
Outpt time (%) = 0.00134373 (0.648532)
Other time (%) = 0.0194457 (9.38519)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 4
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1350 0 -2213.2372 -2213.2372 -3388.9807 3388.9807
1360 6.8824211e-06 -2213.2372 -2213.2372 -3388.9809 3388.9809
1365 2.707132e-05 -2213.2373 -2213.2373 -3388.9812 3388.9812
Loop time of 0.0162449 on 1 procs for 15 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.23723131 -2213.23727741 -2213.23729092
Force two-norm initial, final = 0.00915344 0.00859046
Force max component initial, final = 0.00122829 0.00103979
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 15 15
Pair time (%) = 0.014168 (87.2153)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000125647 (0.773453)
Outpt time (%) = 6.79493e-05 (0.418281)
Other time (%) = 0.00188327 (11.593)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1550 0 -2212.7878 -2212.7878 -3603.9978 3603.9978
1560 0.075253296 -2212.7922 -2212.7922 -3601.278 3601.278
1570 0.35342101 -2212.8118 -2212.8118 -3576.8153 3576.8153
1580 0.2571884 -2212.8169 -2212.8169 -3558.2234 3558.2234
1590 0.8183539 -2212.8189 -2212.8189 -3515.4711 3515.4711
1600 0.00050262247 -2212.8251 -2212.8251 -3529.3534 3529.3534
1610 0.013132104 -2212.8258 -2212.8258 -3530.4154 3530.4154
1620 0.026790179 -2212.827 -2212.827 -3539.0195 3539.0195
1630 0.00030490304 -2212.827 -2212.827 -3540.6051 3540.6051
1640 0.0012944984 -2212.8271 -2212.8271 -3540.2877 3540.2877
1650 0.00029215885 -2212.8272 -2212.8272 -3539.2527 3539.2527
1660 0.00011059079 -2212.8272 -2212.8272 -3539.2752 3539.2752
1670 0.00041107376 -2212.8273 -2212.8273 -3539.3091 3539.3091
1680 0.0012934956 -2212.8273 -2212.8273 -3538.9301 3538.9301
Loop time of 0.131214 on 1 procs for 130 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.78775693 -2212.8272676 -2212.82728753
Force two-norm initial, final = 0.997487 0.00879838
Force max component initial, final = 0.231841 0.000767274
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 130 130
Pair time (%) = 0.118719 (90.4775)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00108743 (0.828742)
Outpt time (%) = 0.000798702 (0.608701)
Other time (%) = 0.0106087 (8.08501)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14248 ave 14248 max 14248 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14248
Ave neighs/atom = 27.8826
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1680 0 -2212.8273 -2212.8273 -3538.939 3538.939
1681 5.0891139e-08 -2212.8273 -2212.8273 -3538.939 3538.939
Loop time of 0.00214791 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82728753 -2212.82728753 -2212.82728753
Force two-norm initial, final = 0.0088348 0.0088348
Force max component initial, final = 0.000860247 0.000860247
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00193071 (89.8879)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.688201)
Outpt time (%) = 0 (0)
Other time (%) = 0.000202417 (9.42391)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1950 0 -2209.3761 -2209.3761 -3142.2135 3142.2135
1960 6.5480048 -2209.758 -2209.758 -3201.374 3201.374
1970 19.129584 -2210.9134 -2210.9134 -3476.8164 3476.8164
1980 1.1208043 -2211.4058 -2211.4058 -3529.4871 3529.4871
1990 0.012158312 -2211.6786 -2211.6786 -3484.7737 3484.7737
2000 0.76421246 -2211.7067 -2211.7067 -3495.0593 3495.0593
2010 0.045000101 -2211.6678 -2211.6678 -3489.6552 3489.6552
2020 0.33622183 -2211.6536 -2211.6536 -3491.9636 3491.9636
2030 0.00068368412 -2211.6092 -2211.6092 -3489.1235 3489.1235
2040 0.028363002 -2211.5898 -2211.5898 -3486.4892 3486.4892
2050 0.13141033 -2211.4433 -2211.4433 -3479.384 3479.384
2060 0.0068900378 -2211.3135 -2211.3135 -3469.5926 3469.5926
2070 0.0034037672 -2211.323 -2211.323 -3480.6029 3480.6029
2080 0.00013079643 -2211.3252 -2211.3252 -3476.4961 3476.4961
2090 0.0013526193 -2211.3265 -2211.3265 -3477.8428 3477.8428
2100 0.0018412056 -2211.3312 -2211.3312 -3476.1315 3476.1315
2110 4.5013378e-05 -2211.3299 -2211.3299 -3475.8077 3475.8077
2120 0.00028077602 -2211.3269 -2211.3269 -3476.7666 3476.7666
2130 0.0018640052 -2211.3091 -2211.3091 -3475.6628 3475.6628
2134 0.0043683213 -2211.3059 -2211.3059 -3476.163 3476.163
Loop time of 0.186849 on 1 procs for 184 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2209.37612156 -2211.30597889 -2211.30594987
Force two-norm initial, final = 9.66579 0.00623716
Force max component initial, final = 5.33469 0.000940579
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 184 184
Pair time (%) = 0.168669 (90.27)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00152135 (0.814213)
Outpt time (%) = 0.0012536 (0.670918)
Other time (%) = 0.0154054 (8.24484)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14232 ave 14232 max 14232 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14232
Ave neighs/atom = 27.8513
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2134 0 -2211.3059 -2211.3059 -3476.193 3476.193
2135 2.5364307e-08 -2211.3059 -2211.3059 -3476.193 3476.193
Loop time of 0.00218916 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.30594987 -2211.30594987 -2211.30594987
Force two-norm initial, final = 0.00623716 0.00623716
Force max component initial, final = 0.000940579 0.000940579
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00195694 (89.3923)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.718798)
Outpt time (%) = 0 (0)
Other time (%) = 0.000216484 (9.88891)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14240 ave 14240 max 14240 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14240
Ave neighs/atom = 27.8669
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2350 0 -2212.7804 -2212.7804 -3607.4239 3607.4239
2360 0.082495175 -2212.7852 -2212.7852 -3604.5742 3604.5742
2370 0.40450738 -2212.8066 -2212.8066 -3578.3956 3578.3956
2380 0.29204562 -2212.8125 -2212.8125 -3558.7542 3558.7542
2390 0.00051138223 -2212.8212 -2212.8212 -3545.3965 3545.3965
2400 0.034255067 -2212.8233 -2212.8233 -3543.804 3543.804
2410 0.050505085 -2212.8245 -2212.8245 -3547.8034 3547.8034
2420 0.003681014 -2212.826 -2212.826 -3547.1261 3547.1261
2430 0.012538797 -2212.8267 -2212.8267 -3544.2132 3544.2132
2440 0.003565326 -2212.8269 -2212.8269 -3541.5506 3541.5506
2450 0.0014900092 -2212.827 -2212.827 -3541.5835 3541.5835
2460 0.0031527004 -2212.8271 -2212.8271 -3541.3354 3541.3354
2470 0.00015221054 -2212.8272 -2212.8272 -3540.9199 3540.9199
2480 0.00048296329 -2212.8272 -2212.8272 -3540.5689 3540.5689
2490 0.00020480526 -2212.8272 -2212.8272 -3540.2291 3540.2291
2500 0.0008213078 -2212.8273 -2212.8273 -3539.666 3539.666
2505 0.00023111931 -2212.8273 -2212.8273 -3539.5236 3539.5236
Loop time of 0.154501 on 1 procs for 155 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.78036283 -2212.82727112 -2212.82727319
Force two-norm initial, final = 1.04323 0.00492216
Force max component initial, final = 0.23682 0.0004891
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 155 155
Pair time (%) = 0.140906 (91.2005)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00128508 (0.831759)
Outpt time (%) = 0.000999451 (0.64689)
Other time (%) = 0.0113108 (7.32087)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14248 ave 14248 max 14248 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14248
Ave neighs/atom = 27.8826
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2505 0 -2212.8273 -2212.8273 -3539.5252 3539.5252
2506 1.5889534e-08 -2212.8273 -2212.8273 -3539.5252 3539.5252
Loop time of 0.00214505 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82727319 -2212.82727319 -2212.82727319
Force two-norm initial, final = 0.00493664 0.00493664
Force max component initial, final = 0.000537372 0.000537372
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192928 (89.9411)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.689119)
Outpt time (%) = 0 (0)
Other time (%) = 0.000200987 (9.36979)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2800 0 -2208.8483 -2208.8483 -3052.5382 3052.5382
2810 8.3805311 -2209.3355 -2209.3355 -3128.199 3128.199
2820 21.074607 -2210.6071 -2210.6071 -3477.0409 3477.0409
2830 1.1929555 -2211.1554 -2211.1554 -3554.8556 3554.8556
2840 3.7106705 -2211.4863 -2211.4863 -3437.0635 3437.0635
2850 0.89288013 -2211.6845 -2211.6845 -3481.0602 3481.0602
2860 0.09225448 -2211.6008 -2211.6008 -3498.8639 3498.8639
2870 0.21554694 -2211.496 -2211.496 -3476.7276 3476.7276
2880 0.00094724217 -2211.3635 -2211.3635 -3482.0793 3482.0793
2890 0.025202801 -2211.3542 -2211.3542 -3469.5651 3469.5651
2900 0.0076267194 -2211.2989 -2211.2989 -3462.8165 3462.8165
2910 0.00172067 -2211.3005 -2211.3005 -3476.4311 3476.4311
2920 0.011361395 -2211.2916 -2211.2916 -3475.7274 3475.7274
2930 0.0094466745 -2211.2721 -2211.2721 -3472.6549 3472.6549
2940 0.001035578 -2211.275 -2211.275 -3475.4379 3475.4379
2950 7.9705589e-05 -2211.2836 -2211.2836 -3475.2234 3475.2234
2956 0.00031204727 -2211.2842 -2211.2842 -3475.8387 3475.8387
Loop time of 0.158589 on 1 procs for 156 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2208.84830982 -2211.28403499 -2211.28421299
Force two-norm initial, final = 11.0399 0.00803944
Force max component initial, final = 6.46908 0.00302644
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 156 156
Pair time (%) = 0.142677 (89.9663)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00128555 (0.810619)
Outpt time (%) = 0.00103307 (0.651411)
Other time (%) = 0.0135937 (8.57163)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14232 ave 14232 max 14232 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14232
Ave neighs/atom = 27.8513
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2956 0 -2211.2842 -2211.2842 -3475.8409 3475.8409
2957 4.2140559e-08 -2211.2842 -2211.2842 -3475.8409 3475.8409
Loop time of 0.00216794 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.28421299 -2211.28421299 -2211.28421299
Force two-norm initial, final = 0.00803944 0.00803944
Force max component initial, final = 0.00302644 0.00302644
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192618 (88.8486)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.681843)
Outpt time (%) = 0 (0)
Other time (%) = 0.000226974 (10.4696)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14240 ave 14240 max 14240 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14240
Ave neighs/atom = 27.8669
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1600 0 -2213.2863 -2213.2863 -3390.9484 3390.9484
1610 0.0097072182 -2213.2868 -2213.2868 -3390.5097 3390.5097
1620 0.07086768 -2213.2908 -2213.2908 -3387.1013 3387.1013
1630 0.16633308 -2213.3011 -2213.3011 -3387.3309 3387.3309
1640 0.031665473 -2213.3234 -2213.3234 -3382.0988 3382.0988
1650 0.05032361 -2213.3341 -2213.3341 -3382.4848 3382.4848
1660 0.010261307 -2213.3347 -2213.3347 -3383.4694 3383.4694
1670 0.00011987467 -2213.3363 -2213.3363 -3382.8565 3382.8565
1680 0.00013891393 -2213.3365 -2213.3365 -3383.5224 3383.5224
1690 0.0022505454 -2213.3366 -2213.3366 -3383.3127 3383.3127
1700 0.0068780461 -2213.3371 -2213.3371 -3383.1478 3383.1478
1710 4.7442399e-05 -2213.3372 -2213.3372 -3383.4277 3383.4277
1719 0.00044181781 -2213.3372 -2213.3372 -3383.4258 3383.4258
Loop time of 0.119256 on 1 procs for 119 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28625932 -2213.33723771 -2213.33724514
Force two-norm initial, final = 0.353657 0.0091413
Force max component initial, final = 0.0444147 0.000828892
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 119 119
Pair time (%) = 0.106331 (89.162)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000998259 (0.837072)
Outpt time (%) = 0.000769854 (0.645547)
Other time (%) = 0.0111568 (9.35533)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1719 0 -2213.3372 -2213.3372 -3383.4288 3383.4288
1720 1.6309401e-07 -2213.3372 -2213.3372 -3383.4288 3383.4288
1730 2.64637e-05 -2213.3372 -2213.3372 -3383.4295 3383.4295
1740 0.00028332467 -2213.3372 -2213.3372 -3383.4364 3383.4364
1750 0.0026063677 -2213.3371 -2213.3371 -3383.4847 3383.4847
1760 0.0010911498 -2213.337 -2213.337 -3383.5291 3383.5291
1770 0.00024832328 -2213.337 -2213.337 -3383.4022 3383.4022
1780 0.0051610678 -2213.3368 -2213.3368 -3383.3993 3383.3993
1790 0.00028633132 -2213.3363 -2213.3363 -3383.5102 3383.5102
1800 0.0033515264 -2213.3364 -2213.3364 -3383.4904 3383.4904
1810 0.0015641602 -2213.3364 -2213.3364 -3383.5075 3383.5075
1820 0.00088172479 -2213.3355 -2213.3355 -3383.6363 3383.6363
1830 0.0010838546 -2213.3358 -2213.3358 -3383.6236 3383.6236
1840 0.014616549 -2213.3352 -2213.3352 -3383.576 3383.576
1850 0.018168303 -2213.3288 -2213.3288 -3384.0522 3384.0522
1860 0.012443519 -2213.3303 -2213.3303 -3384.0553 3384.0553
1870 0.082146737 -2213.3342 -2213.3342 -3383.0459 3383.0459
1880 0.50584268 -2213.287 -2213.287 -3373.1337 3373.1337
1890 0.27258144 -2213.3236 -2213.3236 -3379.6529 3379.6529
1900 0.0070669231 -2213.336 -2213.336 -3383.2531 3383.2531
1910 9.2587483e-05 -2213.337 -2213.337 -3383.4242 3383.4242
1919 0.0011845457 -2213.337 -2213.337 -3383.423 3383.423
Loop time of 0.200056 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33724514 -2213.33701338 -2213.33701928
Force two-norm initial, final = 0.0158159 0.0214285
Force max component initial, final = 0.00233242 0.00193113
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.177264 (88.6075)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00168943 (0.844481)
Outpt time (%) = 0.00147057 (0.735078)
Other time (%) = 0.0196314 (9.81295)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1650 0 -2212.7686 -2212.7686 -3602.6038 3602.6038
1660 0.077085046 -2212.7731 -2212.7731 -3599.9055 3599.9055
1670 0.37549022 -2212.7935 -2212.7935 -3575.4099 3575.4099
1680 0.38400351 -2212.8057 -2212.8057 -3555.0729 3555.0729
1690 0.85998045 -2212.8183 -2212.8183 -3511.1486 3511.1486
1700 0.00057644667 -2212.8246 -2212.8246 -3526.7237 3526.7237
1710 0.015485428 -2212.8253 -2212.8253 -3527.9988 3527.9988
1720 0.036848708 -2212.8266 -2212.8266 -3537.6684 3537.6684
1730 0.00021272396 -2212.8268 -2212.8268 -3539.6 3539.6
1740 0.0024616034 -2212.8269 -2212.8269 -3539.3125 3539.3125
1750 0.0071762113 -2212.8272 -2212.8272 -3538.367 3538.367
1760 0.00043316997 -2212.8272 -2212.8272 -3538.4955 3538.4955
1770 6.0437502e-05 -2212.8273 -2212.8273 -3538.5346 3538.5346
1778 0.00026245018 -2212.8273 -2212.8273 -3538.6427 3538.6427
Loop time of 0.129143 on 1 procs for 128 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.76856498 -2212.82726129 -2212.82726386
Force two-norm initial, final = 1.00877 0.00727397
Force max component initial, final = 0.258592 0.000713467
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 128 128
Pair time (%) = 0.117627 (91.0827)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00106692 (0.826156)
Outpt time (%) = 0.000801802 (0.620863)
Other time (%) = 0.00964737 (7.4703)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1778 0 -2212.8273 -2212.8273 -3538.6445 3538.6445
1779 3.3977128e-08 -2212.8273 -2212.8273 -3538.6445 3538.6445
Loop time of 0.00214791 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82726386 -2212.82726386 -2212.82726386
Force two-norm initial, final = 0.00721886 0.00721886
Force max component initial, final = 0.000708996 0.000708996
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00193 (89.8546)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.754801)
Outpt time (%) = 0 (0)
Other time (%) = 0.000201702 (9.39061)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1700 0 -2212.7595 -2212.7595 -3600.4028 3600.4028
1710 0.076412954 -2212.764 -2212.764 -3597.7056 3597.7056
1720 0.38573929 -2212.7854 -2212.7854 -3573.5506 3573.5506
1730 0.49190382 -2212.8039 -2212.8039 -3553.3569 3553.3569
1740 0.78961206 -2212.8176 -2212.8176 -3515.6379 3515.6379
1750 0.0005224022 -2212.8236 -2212.8236 -3528.1897 3528.1897
1760 0.015697391 -2212.8244 -2212.8244 -3529.1328 3529.1328
1770 0.046717012 -2212.8266 -2212.8266 -3537.8591 3537.8591
1780 0.00022255972 -2212.8268 -2212.8268 -3539.7767 3539.7767
1790 0.0025933434 -2212.8269 -2212.8269 -3539.449 3539.449
1800 0.0070810657 -2212.8272 -2212.8272 -3538.1875 3538.1875
1810 0.00034090249 -2212.8272 -2212.8272 -3538.3478 3538.3478
1820 9.3076805e-05 -2212.8273 -2212.8273 -3538.4106 3538.4106
1829 0.00032806504 -2212.8273 -2212.8273 -3538.5667 3538.5667
Loop time of 0.132432 on 1 procs for 129 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.75951715 -2212.82726562 -2212.82726873
Force two-norm initial, final = 1.00372 0.00642937
Force max component initial, final = 0.243856 0.000680365
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 129 129
Pair time (%) = 0.119756 (90.4283)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00108576 (0.81986)
Outpt time (%) = 0.000815868 (0.616065)
Other time (%) = 0.0107744 (8.13576)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14244 ave 14244 max 14244 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14244
Ave neighs/atom = 27.8748
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1829 0 -2212.8273 -2212.8273 -3538.5689 3538.5689
1830 2.6723876e-08 -2212.8273 -2212.8273 -3538.5689 3538.5689
Loop time of 0.00229192 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82726873 -2212.82726873 -2212.82726873
Force two-norm initial, final = 0.00640214 0.00640214
Force max component initial, final = 0.000673618 0.000673618
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00207615 (90.5857)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.68657)
Outpt time (%) = 0 (0)
Other time (%) = 0.000200033 (8.72776)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1650 0 -2212.7682 -2212.7682 -3599.2807 3599.2807
1660 0.081477756 -2212.773 -2212.773 -3596.6294 3596.6294
1670 0.41922575 -2212.7952 -2212.7952 -3572.4259 3572.4259
1680 0.38843778 -2212.8074 -2212.8074 -3553.0578 3553.0578
1690 0.21826066 -2212.8185 -2212.8185 -3539.9834 3539.9834
1700 0.048128774 -2212.8215 -2212.8215 -3539.1281 3539.1281
1710 0.013762305 -2212.8223 -2212.8223 -3540.4248 3540.4248
1720 0.038255017 -2212.8241 -2212.8241 -3541.6594 3541.6594
1730 8.0467608e-05 -2212.8258 -2212.8258 -3542.5604 3542.5604
1740 0.0037673686 -2212.8261 -2212.8261 -3542.2093 3542.2093
1750 0.014472902 -2212.8266 -2212.8266 -3539.4085 3539.4085
1760 0.0010595402 -2212.8269 -2212.8269 -3539.4862 3539.4862
1770 0.0030510401 -2212.827 -2212.827 -3539.6109 3539.6109
1780 0.00053188532 -2212.8271 -2212.8271 -3539.5519 3539.5519
1790 0.00042076552 -2212.8271 -2212.8271 -3539.3785 3539.3785
1800 3.4320613e-05 -2212.8272 -2212.8272 -3539.1866 3539.1866
1810 2.7242406e-05 -2212.8272 -2212.8272 -3539.1586 3539.1586
1820 0.00023728258 -2212.8272 -2212.8272 -3539.0948 3539.0948
1822 0.00037499566 -2212.8272 -2212.8272 -3539.0542 3539.0542
Loop time of 0.174799 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.76821418 -2212.82722168 -2212.827226
Force two-norm initial, final = 1.0359 0.00889504
Force max component initial, final = 0.212886 0.000591533
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.157489 (90.0973)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00143266 (0.819603)
Outpt time (%) = 0.00116706 (0.667658)
Other time (%) = 0.0147102 (8.41549)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14248 ave 14248 max 14248 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14248
Ave neighs/atom = 27.8826
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1822 0 -2212.8272 -2212.8272 -3539.0567 3539.0567
1823 5.1610331e-08 -2212.8272 -2212.8272 -3539.0567 3539.0567
Loop time of 0.00220299 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.827226 -2212.827226 -2212.827226
Force two-norm initial, final = 0.00889701 0.00889701
Force max component initial, final = 0.000578937 0.000578937
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0019331 (87.7489)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.681818)
Outpt time (%) = 0 (0)
Other time (%) = 0.000254869 (11.5693)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1700 0 -2212.7706 -2212.7706 -3600.945 3600.945
1710 0.084544027 -2212.7756 -2212.7756 -3598.2389 3598.2389
1720 0.43367099 -2212.799 -2212.799 -3573.8712 3573.8712
1730 0.37861769 -2212.8107 -2212.8107 -3554.6203 3554.6203
1740 0.24337738 -2212.8198 -2212.8198 -3541.7928 3541.7928
1750 0.050015801 -2212.823 -2212.823 -3539.818 3539.818
1760 0.010360137 -2212.8246 -2212.8246 -3544.7958 3544.7958
1770 0.0016381437 -2212.8253 -2212.8253 -3543.3771 3543.3771
1780 0.0077226685 -2212.8257 -2212.8257 -3543.4167 3543.4167
1790 0.040908179 -2212.8266 -2212.8266 -3540.2773 3540.2773
1800 0.0035641966 -2212.8271 -2212.8271 -3540.4776 3540.4776
1810 0.00025359152 -2212.8272 -2212.8272 -3540.4306 3540.4306
1820 0.00085161919 -2212.8272 -2212.8272 -3539.9874 3539.9874
1830 0.0017895861 -2212.8272 -2212.8272 -3538.657 3538.657
1838 0.0008928101 -2212.8273 -2212.8273 -3538.6952 3538.6952
Loop time of 0.139261 on 1 procs for 138 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77062684 -2212.82727944 -2212.82728349
Force two-norm initial, final = 1.05549 0.00438284
Force max component initial, final = 0.270855 0.000368521
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 138 138
Pair time (%) = 0.126238 (90.6482)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00114012 (0.818691)
Outpt time (%) = 0.000862122 (0.619069)
Other time (%) = 0.0110211 (7.91402)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1838 0 -2212.8273 -2212.8273 -3538.7013 3538.7013
1839 1.4031041e-08 -2212.8273 -2212.8273 -3538.7013 3538.7013
Loop time of 0.00230718 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82728349 -2212.82728349 -2212.82728349
Force two-norm initial, final = 0.00463896 0.00463896
Force max component initial, final = 0.000764576 0.000764576
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00207305 (89.8522)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.733698)
Outpt time (%) = 0 (0)
Other time (%) = 0.000217199 (9.41407)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1750 0 -2212.7706 -2212.7706 -3600.9604 3600.9604
1760 0.084185413 -2212.7756 -2212.7756 -3598.2552 3598.2552
1770 0.43158175 -2212.7989 -2212.7989 -3573.8984 3573.8984
1780 0.37927062 -2212.8107 -2212.8107 -3554.6954 3554.6954
1790 0.24201587 -2212.8197 -2212.8197 -3541.8508 3541.8508
1800 0.050419805 -2212.8229 -2212.8229 -3539.8274 3539.8274
1810 0.010408841 -2212.8245 -2212.8245 -3544.8053 3544.8053
1820 0.0016502602 -2212.8253 -2212.8253 -3543.3824 3543.3824
1830 0.0077649258 -2212.8257 -2212.8257 -3543.4257 3543.4257
1840 0.041378094 -2212.8266 -2212.8266 -3540.3016 3540.3016
1850 0.0034751692 -2212.8271 -2212.8271 -3540.4856 3540.4856
1860 0.00025044287 -2212.8272 -2212.8272 -3540.4394 3540.4394
1870 0.00085671442 -2212.8272 -2212.8272 -3539.9956 3539.9956
1880 0.0017575863 -2212.8272 -2212.8272 -3538.6597 3538.6597
1888 0.00087784786 -2212.8273 -2212.8273 -3538.6981 3538.6981
Loop time of 0.139231 on 1 procs for 138 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77061246 -2212.82727942 -2212.82728339
Force two-norm initial, final = 1.05325 0.00439648
Force max component initial, final = 0.270605 0.000377602
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 138 138
Pair time (%) = 0.126203 (90.6431)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00111222 (0.798833)
Outpt time (%) = 0.000859022 (0.616976)
Other time (%) = 0.0110564 (7.94107)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1888 0 -2212.8273 -2212.8273 -3538.7041 3538.7041
1889 1.4154839e-08 -2212.8273 -2212.8273 -3538.7041 3538.7041
Loop time of 0.00216317 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82728339 -2212.82728339 -2212.82728339
Force two-norm initial, final = 0.00465938 0.00465938
Force max component initial, final = 0.000777761 0.000777761
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0019331 (89.364)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.782542)
Outpt time (%) = 0 (0)
Other time (%) = 0.000213146 (9.85341)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1800 0 -2212.7707 -2212.7707 -3600.9416 3600.9416
1810 0.083973386 -2212.7756 -2212.7756 -3598.2375 3598.2375
1820 0.43026078 -2212.7989 -2212.7989 -3573.8832 3573.8832
1830 0.3794232 -2212.8107 -2212.8107 -3554.7248 3554.7248
1840 0.24108582 -2212.8197 -2212.8197 -3541.8554 3541.8554
1850 0.05080236 -2212.8229 -2212.8229 -3539.8139 3539.8139
1860 0.010451632 -2212.8246 -2212.8246 -3544.7906 3544.7906
1870 0.0016643157 -2212.8253 -2212.8253 -3543.3731 3543.3731
1880 0.0077440766 -2212.8257 -2212.8257 -3543.4184 3543.4184
1890 0.041937648 -2212.8266 -2212.8266 -3540.3433 3540.3433
1900 0.0033076766 -2212.8271 -2212.8271 -3540.4913 3540.4913
1910 0.00024402721 -2212.8272 -2212.8272 -3540.4469 3540.4469
1920 0.00085917846 -2212.8272 -2212.8272 -3540.0031 3540.0031
1930 0.0017025184 -2212.8272 -2212.8272 -3538.6631 3538.6631
1938 0.00085353124 -2212.8273 -2212.8273 -3538.7008 3538.7008
Loop time of 0.139103 on 1 procs for 138 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77067863 -2212.82727944 -2212.8272833
Force two-norm initial, final = 1.05191 0.0043995
Force max component initial, final = 0.270509 0.000381834
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 138 138
Pair time (%) = 0.126439 (90.8961)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00114608 (0.823906)
Outpt time (%) = 0.000872374 (0.627142)
Other time (%) = 0.0106454 (7.65289)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1938 0 -2212.8273 -2212.8273 -3538.7067 3538.7067
1939 1.4190024e-08 -2212.8273 -2212.8273 -3538.7067 3538.7067
Loop time of 0.0021441 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.8272833 -2212.8272833 -2212.8272833
Force two-norm initial, final = 0.00466517 0.00466517
Force max component initial, final = 0.000783449 0.000783449
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192785 (89.9144)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.745024)
Outpt time (%) = 0 (0)
Other time (%) = 0.000200272 (9.3406)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1850 0 -2212.7712 -2212.7712 -3600.7788 3600.7788
1860 0.084360305 -2212.7762 -2212.7762 -3598.0763 3598.0763
1870 0.43209916 -2212.7995 -2212.7995 -3573.6947 3573.6947
1880 0.37650889 -2212.811 -2212.811 -3554.5295 3554.5295
1890 0.2422447 -2212.8198 -2212.8198 -3541.6021 3541.6021
1900 0.050808189 -2212.8231 -2212.8231 -3539.6877 3539.6877
1910 0.010448867 -2212.8246 -2212.8246 -3544.6598 3544.6598
1920 0.001680827 -2212.8254 -2212.8254 -3543.2925 3543.2925
1930 0.0074164797 -2212.8258 -2212.8258 -3543.3301 3543.3301
1940 0.042820635 -2212.8267 -2212.8267 -3540.4502 3540.4502
1950 0.0028399839 -2212.8271 -2212.8271 -3540.4824 3540.4824
1960 0.00022566939 -2212.8272 -2212.8272 -3540.4436 3540.4436
1970 0.00084622861 -2212.8272 -2212.8272 -3540.0033 3540.0033
1980 0.0015489337 -2212.8272 -2212.8272 -3538.6735 3538.6735
1988 0.00079473864 -2212.8273 -2212.8273 -3538.7044 3538.7044
Loop time of 0.139007 on 1 procs for 138 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77119901 -2212.82727962 -2212.82728317
Force two-norm initial, final = 1.05429 0.00435371
Force max component initial, final = 0.271423 0.000357172
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 138 138
Pair time (%) = 0.126139 (90.743)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00115919 (0.833908)
Outpt time (%) = 0.000866175 (0.623115)
Other time (%) = 0.0108426 (7.80001)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1988 0 -2212.8273 -2212.8273 -3538.7099 3538.7099
1989 1.3796558e-08 -2212.8273 -2212.8273 -3538.7099 3538.7099
Loop time of 0.00217986 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82728317 -2212.82728317 -2212.82728317
Force two-norm initial, final = 0.00460003 0.00460003
Force max component initial, final = 0.000746774 0.000746774
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0019269 (88.3955)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.831237)
Outpt time (%) = 0 (0)
Other time (%) = 0.000234842 (10.7733)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1900 0 -2212.7717 -2212.7717 -3600.5952 3600.5952
1910 0.083263153 -2212.7766 -2212.7766 -3597.8847 3597.8847
1920 0.4230499 -2212.7995 -2212.7995 -3573.459 3573.459
1930 0.38121163 -2212.8114 -2212.8114 -3554.4995 3554.4995
1940 0.23545948 -2212.82 -2212.82 -3541.4243 3541.4243
1950 0.05177099 -2212.8232 -2212.8232 -3539.407 3539.407
1960 0.010626942 -2212.8248 -2212.8248 -3544.437 3544.437
1970 0.0017123596 -2212.8255 -2212.8255 -3543.0974 3543.0974
1980 0.0069838581 -2212.8259 -2212.8259 -3543.1606 3543.1606
1990 0.044296809 -2212.8268 -2212.8268 -3540.5902 3540.5902
2000 0.0022641074 -2212.8271 -2212.8271 -3540.4556 3540.4556
2010 0.0002027817 -2212.8272 -2212.8272 -3540.4268 3540.4268
2020 0.00082017229 -2212.8272 -2212.8272 -3539.9948 3539.9948
2030 0.0013294221 -2212.8272 -2212.8272 -3538.688 3538.688
2038 0.00070981801 -2212.8273 -2212.8273 -3538.7068 3538.7068
Loop time of 0.139914 on 1 procs for 138 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77170218 -2212.82727993 -2212.82728302
Force two-norm initial, final = 1.04757 0.00433879
Force max component initial, final = 0.271511 0.00037879
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 138 138
Pair time (%) = 0.126149 (90.1617)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00113606 (0.811975)
Outpt time (%) = 0.000862837 (0.616692)
Other time (%) = 0.0117662 (8.4096)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2038 0 -2212.8273 -2212.8273 -3538.7117 3538.7117
2039 1.3742656e-08 -2212.8273 -2212.8273 -3538.7117 3538.7117
Loop time of 0.00217986 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82728302 -2212.82728302 -2212.82728302
Force two-norm initial, final = 0.00459104 0.00459104
Force max component initial, final = 0.000767699 0.000767699
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00194311 (89.1392)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.787488)
Outpt time (%) = 0 (0)
Other time (%) = 0.000219584 (10.0733)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1700 0 -2213.3089 -2213.3089 -3383.7152 3383.7152
1710 0.011271304 -2213.3096 -2213.3096 -3383.8426 3383.8426
1720 0.071906724 -2213.3133 -2213.3133 -3384.5252 3384.5252
1730 0.18018268 -2213.3229 -2213.3229 -3382.5522 3382.5522
1740 0.086561893 -2213.3332 -2213.3332 -3383.3258 3383.3258
1750 5.2757996e-05 -2213.3339 -2213.3339 -3383.8781 3383.8781
1760 0.0062530185 -2213.3342 -2213.3342 -3383.9713 3383.9713
1770 0.031145237 -2213.3359 -2213.3359 -3383.3171 3383.3171
1780 0.0016350815 -2213.337 -2213.337 -3383.3241 3383.3241
1790 0.0010124787 -2213.3371 -2213.3371 -3383.3035 3383.3035
1800 0.00051767131 -2213.3372 -2213.3372 -3383.3614 3383.3614
1810 0.00010835263 -2213.3372 -2213.3372 -3383.3662 3383.3662
1820 0.0010140679 -2213.3373 -2213.3373 -3383.3629 3383.3629
1823 0.0016315063 -2213.3373 -2213.3373 -3383.3686 3383.3686
Loop time of 0.123821 on 1 procs for 123 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30891385 -2213.33731108 -2213.33732571
Force two-norm initial, final = 0.38355 0.00974573
Force max component initial, final = 0.0324658 0.000777448
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 123 123
Pair time (%) = 0.109454 (88.3971)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0010457 (0.844529)
Outpt time (%) = 0.00083375 (0.673351)
Other time (%) = 0.0124874 (10.085)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1823 0 -2213.3373 -2213.3373 -3383.3798 3383.3798
1824 6.192659e-08 -2213.3373 -2213.3373 -3383.3798 3383.3798
Loop time of 0.00210905 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33732571 -2213.33732571 -2213.33732571
Force two-norm initial, final = 0.00974573 0.00974573
Force max component initial, final = 0.000777448 0.000777448
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185299 (87.8589)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.813927)
Outpt time (%) = 0 (0)
Other time (%) = 0.000238895 (11.3272)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1750 0 -2211.2102 -2211.2102 -3399.6586 3399.6586
1760 2.7566029 -2211.372 -2211.372 -3404.5835 3404.5835
1770 16.269218 -2212.2113 -2212.2113 -3416.3008 3416.3008
1780 0.11568975 -2213.0176 -2213.0176 -3149.3308 3149.3308
1790 0.059200932 -2213.1921 -2213.1921 -3519.1745 3519.1745
1800 0.91963606 -2213.2507 -2213.2507 -3320.7546 3320.7546
1810 0.099561543 -2213.3069 -2213.3069 -3420.916 3420.916
1820 0.38057419 -2213.3239 -2213.3239 -3401.9785 3401.9785
1830 0.0012234934 -2213.3279 -2213.3279 -3378.9297 3378.9297
1840 0.024608323 -2213.3294 -2213.3294 -3388.6273 3388.6273
1850 0.11093664 -2213.3353 -2213.3353 -3391.4772 3391.4772
1860 0.0012814881 -2213.3367 -2213.3367 -3389.0259 3389.0259
1870 0.0064616487 -2213.337 -2213.337 -3381.3431 3381.3431
1880 1.254274e-05 -2213.3372 -2213.3372 -3382.3971 3382.3971
1890 0.00044763579 -2213.3372 -2213.3372 -3383.6847 3383.6847
1900 0.0024854821 -2213.3373 -2213.3373 -3383.6514 3383.6514
1903 0.0030943721 -2213.3374 -2213.3374 -3383.449 3383.449
Loop time of 0.152962 on 1 procs for 153 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.2101911 -2213.33733979 -2213.3373582
Force two-norm initial, final = 6.03639 0.00963055
Force max component initial, final = 2.67231 0.00169912
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 153 153
Pair time (%) = 0.136335 (89.1301)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0012567 (0.82158)
Outpt time (%) = 0.000992298 (0.648722)
Other time (%) = 0.0143778 (9.39961)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1903 0 -2213.3374 -2213.3374 -3383.4702 3383.4702
1904 6.0471504e-08 -2213.3374 -2213.3374 -3383.4702 3383.4702
Loop time of 0.00213504 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373582 -2213.3373582 -2213.3373582
Force two-norm initial, final = 0.00963055 0.00963055
Force max component initial, final = 0.00169912 0.00169912
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185895 (87.0687)
Neigh time (%) = 0 (0)
Comm time (%) = 1.52588e-05 (0.714685)
Outpt time (%) = 0 (0)
Other time (%) = 0.00026083 (12.2166)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1800 0 -2211.1749 -2211.1749 -3411.4517 3411.4517
1810 2.7310026 -2211.3353 -2211.3353 -3415.8458 3415.8458
1820 16.263921 -2212.1758 -2212.1758 -3424.7692 3424.7692
1830 0.11845555 -2213.001 -2213.001 -3145.4521 3145.4521
1840 0.061370255 -2213.1782 -2213.1782 -3523.1431 3523.1431
1850 0.94881154 -2213.2391 -2213.2391 -3320.6477 3320.6477
1860 0.10716855 -2213.2988 -2213.2988 -3422.9788 3422.9788
1870 0.42613787 -2213.3182 -2213.3182 -3404.4527 3404.4527
1880 0.0027319306 -2213.3225 -2213.3225 -3361.1378 3361.1378
1890 0.037211189 -2213.3251 -2213.3251 -3398.9606 3398.9606
1900 0.18563687 -2213.3328 -2213.3328 -3400.1676 3400.1676
1910 0.0032759265 -2213.3337 -2213.3337 -3374.8917 3374.8917
1920 0.012519937 -2213.3345 -2213.3345 -3390.4093 3390.4093
1930 0.0091038818 -2213.3362 -2213.3362 -3390.1979 3390.1979
1940 0.0019091181 -2213.3364 -2213.3364 -3383.4863 3383.4863
1950 0.0069715222 -2213.3368 -2213.3368 -3379.0558 3379.0558
1960 0.027988886 -2213.337 -2213.337 -3392.0232 3392.0232
1966 0.0082704794 -2213.3373 -2213.3373 -3383.3692 3383.3692
Loop time of 0.164512 on 1 procs for 166 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.17491702 -2213.33730184 -2213.33733297
Force two-norm initial, final = 6.0064 0.00965777
Force max component initial, final = 2.6823 0.000799725
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 166 166
Pair time (%) = 0.14772 (89.7929)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00136757 (0.831289)
Outpt time (%) = 0.00106263 (0.64593)
Other time (%) = 0.0143616 (8.72984)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14268 ave 14268 max 14268 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14268
Ave neighs/atom = 27.9217
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1966 0 -2213.3373 -2213.3373 -3383.426 3383.426
1967 6.0813849e-08 -2213.3373 -2213.3373 -3383.426 3383.426
Loop time of 0.00210881 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733297 -2213.33733297 -2213.33733297
Force two-norm initial, final = 0.00965777 0.00965777
Force max component initial, final = 0.000799725 0.000799725
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185895 (88.1515)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.859243)
Outpt time (%) = 0 (0)
Other time (%) = 0.000231743 (10.9893)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1750 0 -2213.2883 -2213.2883 -3382.3727 3382.3727
1760 0.00920238 -2213.2888 -2213.2888 -3382.874 3382.874
1770 0.068377317 -2213.2926 -2213.2926 -3386.7423 3386.7423
1780 0.1803379 -2213.3034 -2213.3034 -3385.4623 3385.4623
1790 0.068249085 -2213.3248 -2213.3248 -3384.515 3384.515
1800 0.045910181 -2213.327 -2213.327 -3384.3613 3384.3613
1810 0.00075990509 -2213.3352 -2213.3352 -3382.9257 3382.9257
1820 0.0023456642 -2213.3357 -2213.3357 -3383.8713 3383.8713
1830 0.014567232 -2213.3362 -2213.3362 -3383.7395 3383.7395
1840 0.0035655177 -2213.3364 -2213.3364 -3383.5562 3383.5562
1850 0.0011020825 -2213.3367 -2213.3367 -3383.6061 3383.6061
1860 0.00015241757 -2213.3369 -2213.3369 -3383.5893 3383.5893
1870 0.0001181108 -2213.337 -2213.337 -3383.5212 3383.5212
1880 0.0014492765 -2213.337 -2213.337 -3383.4943 3383.4943
1889 0.0048743041 -2213.3373 -2213.3373 -3383.3785 3383.3785
Loop time of 0.137775 on 1 procs for 139 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28829889 -2213.33728508 -2213.33732191
Force two-norm initial, final = 0.344499 0.00951533
Force max component initial, final = 0.0373016 0.000851886
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 139 139
Pair time (%) = 0.122633 (89.0095)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00116372 (0.844654)
Outpt time (%) = 0.000897169 (0.651185)
Other time (%) = 0.0130813 (9.4947)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1889 0 -2213.3373 -2213.3373 -3383.4119 3383.4119
1890 6.5246128e-08 -2213.3373 -2213.3373 -3383.4119 3383.4119
1892 5.8719057e-07 -2213.3373 -2213.3373 -3383.4118 3383.4118
Loop time of 0.00423694 on 1 procs for 3 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33732191 -2213.33732192 -2213.33732192
Force two-norm initial, final = 0.0100035 0.00999774
Force max component initial, final = 0.000677508 0.000677017
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 3 3
Pair time (%) = 0.00370622 (87.474)
Neigh time (%) = 0 (0)
Comm time (%) = 3.21865e-05 (0.759665)
Outpt time (%) = 6.69956e-05 (1.58123)
Other time (%) = 0.000431538 (10.1851)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1800 0 -2211.2073 -2211.2073 -3402.3071 3402.3071
1810 2.7521069 -2211.3689 -2211.3689 -3407.2879 3407.2879
1820 16.227606 -2212.2066 -2212.2066 -3421.2559 3421.2559
1830 0.11760355 -2213.0144 -2213.0144 -3144.6941 3144.6941
1840 0.060613564 -2213.189 -2213.189 -3521.6977 3521.6977
1850 0.92303037 -2213.2481 -2213.2481 -3319.5525 3319.5525
1860 0.10193168 -2213.3044 -2213.3044 -3421.4905 3421.4905
1870 0.3913765 -2213.3218 -2213.3218 -3402.6575 3402.6575
1880 0.0025418813 -2213.3255 -2213.3255 -3361.4407 3361.4407
1890 0.032926613 -2213.3277 -2213.3277 -3398.4391 3398.4391
1900 0.15857747 -2213.3341 -2213.3341 -3395.9319 3395.9319
1910 0.0021535271 -2213.3347 -2213.3347 -3376.8929 3376.8929
1920 0.0094390939 -2213.3353 -2213.3353 -3388.6814 3388.6814
1930 0.0060874097 -2213.3365 -2213.3365 -3388.6643 3388.6643
1940 0.0013536107 -2213.3367 -2213.3367 -3383.4567 3383.4567
1950 0.0050601575 -2213.3369 -2213.3369 -3379.9023 3379.9023
1960 0.018018733 -2213.3371 -2213.3371 -3389.9032 3389.9032
1966 0.0054428463 -2213.3373 -2213.3373 -3383.3529 3383.3529
Loop time of 0.165069 on 1 procs for 166 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.20730661 -2213.33732898 -2213.33734899
Force two-norm initial, final = 6.03149 0.00818783
Force max component initial, final = 2.68376 0.000681237
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 166 166
Pair time (%) = 0.147682 (89.4672)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00136781 (0.828628)
Outpt time (%) = 0.00106668 (0.646206)
Other time (%) = 0.0149519 (9.058)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1966 0 -2213.3373 -2213.3373 -3383.3903 3383.3903
1967 4.4074756e-08 -2213.3373 -2213.3373 -3383.3903 3383.3903
Loop time of 0.00226402 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734899 -2213.33734899 -2213.33734899
Force two-norm initial, final = 0.00822187 0.00822187
Force max component initial, final = 0.000680578 0.000680578
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00200367 (88.5004)
Neigh time (%) = 0 (0)
Comm time (%) = 1.38283e-05 (0.610783)
Outpt time (%) = 0 (0)
Other time (%) = 0.000246525 (10.8888)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1850 0 -2211.1902 -2211.1902 -3405.358 3405.358
1860 2.7582821 -2211.3521 -2211.3521 -3410.2905 3410.2905
1870 16.25797 -2212.192 -2212.192 -3424.4025 3424.4025
1880 0.11932635 -2213.0057 -2213.0057 -3141.97 3141.97
1890 0.061723276 -2213.1822 -2213.1822 -3523.6742 3523.6742
1900 0.93865054 -2213.2424 -2213.2424 -3319.3287 3319.3287
1910 0.1055464 -2213.3005 -2213.3005 -3422.5579 3422.5579
1920 0.41162983 -2213.319 -2213.319 -3403.9197 3403.9197
1930 0.002686362 -2213.3231 -2213.3231 -3361.1655 3361.1655
1940 0.035892763 -2213.3256 -2213.3256 -3398.8908 3398.8908
1950 0.17837125 -2213.333 -2213.333 -3399.0705 3399.0705
1960 0.0029734504 -2213.3339 -2213.3339 -3375.4749 3375.4749
1970 0.011882441 -2213.3346 -2213.3346 -3389.99 3389.99
1980 0.0082880346 -2213.3362 -2213.3362 -3389.8037 3389.8037
1990 0.0017910024 -2213.3364 -2213.3364 -3383.4978 3383.4978
2000 0.0066432912 -2213.3368 -2213.3368 -3379.2649 3379.2649
2010 0.024926354 -2213.337 -2213.337 -3391.3704 3391.3704
2016 0.0074319549 -2213.3373 -2213.3373 -3383.3593 3383.3593
Loop time of 0.164596 on 1 procs for 166 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.19015052 -2213.33730718 -2213.33733493
Force two-norm initial, final = 6.03858 0.00942101
Force max component initial, final = 2.70136 0.000765711
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 166 166
Pair time (%) = 0.147613 (89.6818)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00135851 (0.82536)
Outpt time (%) = 0.00106502 (0.647049)
Other time (%) = 0.0145597 (8.84576)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2016 0 -2213.3373 -2213.3373 -3383.4104 3383.4104
2017 5.7868706e-08 -2213.3373 -2213.3373 -3383.4104 3383.4104
Loop time of 0.00206399 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733493 -2213.33733493 -2213.33733493
Force two-norm initial, final = 0.00942101 0.00942101
Force max component initial, final = 0.000765711 0.000765711
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018611 (90.1698)
Neigh time (%) = 0 (0)
Comm time (%) = 1.52588e-05 (0.739286)
Outpt time (%) = 0 (0)
Other time (%) = 0.000187635 (9.09091)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1800 0 -2213.2915 -2213.2915 -3389.6871 3389.6871
1810 0.0081968335 -2213.292 -2213.292 -3389.182 3389.182
1820 0.068748802 -2213.2958 -2213.2958 -3385.8266 3385.8266
1830 0.21562237 -2213.3083 -2213.3083 -3388.6053 3388.6053
1840 0.066305959 -2213.3293 -2213.3293 -3385.5105 3385.5105
1850 0.02964182 -2213.3314 -2213.3314 -3385.9452 3385.9452
1860 0.0066631822 -2213.3345 -2213.3345 -3381.4866 3381.4866
1870 0.0025511412 -2213.3349 -2213.3349 -3384.4794 3384.4794
1880 0.016859168 -2213.3358 -2213.3358 -3383.5273 3383.5273
1890 0.0022055956 -2213.3368 -2213.3368 -3383.6229 3383.6229
1900 0.0011493192 -2213.3369 -2213.3369 -3383.3668 3383.3668
1910 0.0061951626 -2213.3372 -2213.3372 -3383.4287 3383.4287
1920 7.3790117e-05 -2213.3373 -2213.3373 -3383.4654 3383.4654
1930 0.00052408885 -2213.3373 -2213.3373 -3383.3461 3383.3461
1940 0.00015978913 -2213.3373 -2213.3373 -3383.3891 3383.3891
1945 0.0004042177 -2213.3373 -2213.3373 -3383.3904 3383.3904
Loop time of 0.143782 on 1 procs for 145 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29151205 -2213.33732407 -2213.337329
Force two-norm initial, final = 0.323402 0.00875374
Force max component initial, final = 0.0572252 0.000760071
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 145 145
Pair time (%) = 0.128569 (89.4194)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00119877 (0.83374)
Outpt time (%) = 0.00095892 (0.666925)
Other time (%) = 0.0130553 (9.07993)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1945 0 -2213.3373 -2213.3373 -3383.3932 3383.3932
1946 5.633161e-08 -2213.3373 -2213.3373 -3383.3932 3383.3932
Loop time of 0.00209093 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.337329 -2213.337329 -2213.337329
Force two-norm initial, final = 0.00929505 0.00929505
Force max component initial, final = 0.000760866 0.000760866
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184917 (88.4379)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.763968)
Outpt time (%) = 0 (0)
Other time (%) = 0.000225782 (10.7982)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1850 0 -2211.2413 -2211.2413 -3403.2599 3403.2599
1860 2.6495359 -2211.3969 -2211.3969 -3408.4968 3408.4968
1870 15.705431 -2212.2091 -2212.2091 -3426.6246 3426.6246
1880 0.109312 -2213.0208 -2213.0208 -3157.8679 3157.8679
1890 0.056663056 -2213.1852 -2213.1852 -3518.2355 3518.2355
1900 0.88272705 -2213.2419 -2213.2419 -3324.6365 3324.6365
1910 0.10135643 -2213.2987 -2213.2987 -3422.4195 3422.4195
1920 0.41167319 -2213.3174 -2213.3174 -3404.9253 3404.9253
1930 0.00022162722 -2213.3315 -2213.3315 -3392.2886 3392.2886
1940 0.01589397 -2213.3325 -2213.3325 -3377.9924 3377.9924
1950 0.069065486 -2213.3359 -2213.3359 -3368.0184 3368.0184
1960 0.01620345 -2213.3368 -2213.3368 -3372.4875 3372.4875
1970 0.0016712458 -2213.3371 -2213.3371 -3386.7691 3386.7691
1980 0.00019855323 -2213.3372 -2213.3372 -3381.1439 3381.1439
1990 0.00073249646 -2213.3372 -2213.3372 -3385.2341 3385.2341
2000 3.5733396e-05 -2213.3373 -2213.3373 -3385.2994 3385.2994
2010 8.2312933e-05 -2213.3373 -2213.3373 -3382.6113 3382.6113
2013 0.00015150979 -2213.3373 -2213.3373 -3383.251 3383.251
Loop time of 0.160246 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.24132705 -2213.33733915 -2213.33734036
Force two-norm initial, final = 5.91543 0.00827307
Force max component initial, final = 2.68841 0.000913607
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.144992 (90.481)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00132966 (0.829763)
Outpt time (%) = 0.00108767 (0.678748)
Other time (%) = 0.0128365 (8.01047)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2013 0 -2213.3373 -2213.3373 -3383.252 3383.252
2014 4.4625376e-08 -2213.3373 -2213.3373 -3383.252 3383.252
Loop time of 0.00206399 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734036 -2213.33734036 -2213.33734036
Force two-norm initial, final = 0.00827307 0.00827307
Force max component initial, final = 0.000913607 0.000913607
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185966 (90.1005)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.77394)
Outpt time (%) = 0 (0)
Other time (%) = 0.000188351 (9.12556)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1900 0 -2211.2106 -2211.2106 -3412.0692 3412.0692
1910 2.6357856 -2211.3653 -2211.3653 -3416.9948 3416.9948
1920 15.687682 -2212.1781 -2212.1781 -3434.3536 3434.3536
1930 0.11214289 -2213.0042 -2213.0042 -3154.0711 3154.0711
1940 0.058578237 -2213.1719 -2213.1719 -3522.0635 3522.0635
1950 0.91214053 -2213.2307 -2213.2307 -3324.5561 3324.5561
1960 0.22487075 -2213.2866 -2213.2866 -3469.6235 3469.6235
1970 0.035320232 -2213.3044 -2213.3044 -3365.0714 3365.0714
1980 0.16590034 -2213.3138 -2213.3138 -3400.4795 3400.4795
1990 0.74435795 -2213.3291 -2213.3291 -3332.4792 3332.4792
2000 0.030683713 -2213.3351 -2213.3351 -3385.4342 3385.4342
2010 0.002988931 -2213.3353 -2213.3353 -3382.1313 3382.1313
2020 0.017313383 -2213.3362 -2213.3362 -3381.0372 3381.0372
2030 0.0025180541 -2213.3371 -2213.3371 -3382.2052 3382.2052
2040 0.00081976693 -2213.3372 -2213.3372 -3382.8921 3382.8921
2050 0.0026243024 -2213.3373 -2213.3373 -3381.5055 3381.5055
2060 0.00058589314 -2213.3373 -2213.3373 -3381.4588 3381.4588
2070 9.7406725e-05 -2213.3374 -2213.3374 -3383.9225 3383.9225
2074 0.00020168651 -2213.3374 -2213.3374 -3383.3489 3383.3489
Loop time of 0.171851 on 1 procs for 174 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.21055718 -2213.3373627 -2213.33736386
Force two-norm initial, final = 5.89928 0.00935635
Force max component initial, final = 2.67498 0.00208439
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 174 174
Pair time (%) = 0.155282 (90.3582)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00143933 (0.837546)
Outpt time (%) = 0.00113726 (0.661768)
Other time (%) = 0.013993 (8.14253)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2074 0 -2213.3374 -2213.3374 -3383.3502 3383.3502
2075 5.7071642e-08 -2213.3374 -2213.3374 -3383.3502 3383.3502
Loop time of 0.00212312 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736386 -2213.33736386 -2213.33736386
Force two-norm initial, final = 0.0093559 0.0093559
Force max component initial, final = 0.0021544 0.0021544
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00186396 (87.7934)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.808535)
Outpt time (%) = 0 (0)
Other time (%) = 0.000241995 (11.3981)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1850 0 -2212.7581 -2212.7581 -3577.7416 3577.7416
1860 0.079915066 -2212.7628 -2212.7628 -3574.839 3574.839
1870 0.40112042 -2212.7848 -2212.7848 -3548.6378 3548.6378
1880 0.53229783 -2212.8039 -2212.8039 -3523.4773 3523.4773
1890 0.74541752 -2212.8166 -2212.8166 -3502.9035 3502.9035
1900 0.00034234349 -2212.8231 -2212.8231 -3517.4846 3517.4846
1910 0.021620204 -2212.8244 -2212.8244 -3518.7553 3518.7553
1920 0.045424163 -2212.8264 -2212.8264 -3532.0365 3532.0365
1930 0.0043238389 -2212.8268 -2212.8268 -3534.8226 3534.8226
1940 8.3907405e-06 -2212.827 -2212.827 -3535.0434 3535.0434
1950 0.00054614883 -2212.827 -2212.827 -3535.106 3535.106
1960 0.0024338819 -2212.8272 -2212.8272 -3535.9835 3535.9835
1970 0.00012220494 -2212.8272 -2212.8272 -3537.5728 3537.5728
1975 0.0025573805 -2212.8273 -2212.8273 -3537.609 3537.609
Loop time of 0.127987 on 1 procs for 125 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.75805513 -2212.82726629 -2212.82727546
Force two-norm initial, final = 1.02662 0.00612533
Force max component initial, final = 0.263354 0.000478286
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 125 125
Pair time (%) = 0.115463 (90.2149)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00103569 (0.809216)
Outpt time (%) = 0.00082612 (0.645473)
Other time (%) = 0.0106618 (8.33041)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14244 ave 14244 max 14244 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14244
Ave neighs/atom = 27.8748
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1975 0 -2212.8273 -2212.8273 -3537.6266 3537.6266
1976 2.4414715e-08 -2212.8273 -2212.8273 -3537.6266 3537.6266
Loop time of 0.00218201 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82727546 -2212.82727546 -2212.82727546
Force two-norm initial, final = 0.0061193 0.0061193
Force max component initial, final = 0.000483606 0.000483606
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00194883 (89.3138)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.786713)
Outpt time (%) = 0 (0)
Other time (%) = 0.000216007 (9.89948)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1900 0 -2211.1957 -2211.1957 -3402.3901 3402.3901
1910 2.8176414 -2211.3611 -2211.3611 -3407.8484 3407.8484
1920 16.551965 -2212.2124 -2212.2124 -3426.4425 3426.4425
1930 0.12265702 -2213.0142 -2213.0142 -3136.6499 3136.6499
1940 0.064030756 -2213.1996 -2213.1996 -3476.9434 3476.9434
1950 0.87184473 -2213.2514 -2213.2514 -3348.185 3348.185
1960 1.4928629 -2213.3143 -2213.3143 -3327.1766 3327.1766
1970 0.022026589 -2213.3253 -2213.3253 -3405.2382 3405.2382
1980 0.10057234 -2213.3315 -2213.3315 -3365.576 3365.576
1990 0.02379886 -2213.3343 -2213.3343 -3379.3473 3379.3473
2000 0.0075392198 -2213.3347 -2213.3347 -3382.7834 3382.7834
2010 0.019625485 -2213.3356 -2213.3356 -3374.8838 3374.8838
2020 9.0126667e-05 -2213.3366 -2213.3366 -3377.2045 3377.2045
2030 2.8531548e-05 -2213.3368 -2213.3368 -3385.3886 3385.3886
2040 0.00087519723 -2213.3368 -2213.3368 -3382.9986 3382.9986
2050 0.0046324856 -2213.3371 -2213.3371 -3384.6534 3384.6534
2060 1.2795746e-05 -2213.3373 -2213.3373 -3382.0916 3382.0916
2065 0.00029980583 -2213.3373 -2213.3373 -3383.1967 3383.1967
Loop time of 0.167044 on 1 procs for 165 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.19565942 -2213.33734382 -2213.33734612
Force two-norm initial, final = 6.10472 0.00825608
Force max component initial, final = 2.84728 0.00100923
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 165 165
Pair time (%) = 0.149447 (89.4655)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00136685 (0.81826)
Outpt time (%) = 0.00107312 (0.642419)
Other time (%) = 0.0151572 (9.07379)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14272 ave 14272 max 14272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14272
Ave neighs/atom = 27.9295
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2065 0 -2213.3373 -2213.3373 -3383.1988 3383.1988
2066 4.5026007e-08 -2213.3373 -2213.3373 -3383.1988 3383.1988
Loop time of 0.00224495 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734612 -2213.33734612 -2213.33734612
Force two-norm initial, final = 0.00831012 0.00831012
Force max component initial, final = 0.00104986 0.00104986
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192809 (85.8857)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.754036)
Outpt time (%) = 0 (0)
Other time (%) = 0.000299931 (13.3602)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1950 0 -2211.1828 -2211.1828 -3402.0388 3402.0388
1960 2.8500012 -2211.3501 -2211.3501 -3407.7827 3407.7827
1970 16.598615 -2212.2059 -2212.2059 -3429.3471 3429.3471
1980 0.12454302 -2213.0097 -2213.0097 -3131.0008 3131.0008
1990 0.064904114 -2213.1962 -2213.1962 -3478.8658 3478.8658
2000 0.87480673 -2213.2485 -2213.2485 -3347.3764 3347.3764
2010 1.5280961 -2213.313 -2213.313 -3323.6881 3323.6881
2020 0.022979237 -2213.3243 -2213.3243 -3406.8133 3406.8133
2030 0.10496317 -2213.3308 -2213.3308 -3364.9793 3364.9793
2040 0.024773284 -2213.3338 -2213.3338 -3379.2105 3379.2105
2050 0.0042381639 -2213.3349 -2213.3349 -3392.4245 3392.4245
2060 0.021822578 -2213.3359 -2213.3359 -3387.2031 3387.2031
2070 2.682873e-05 -2213.3368 -2213.3368 -3386.0933 3386.0933
2080 0.0011973478 -2213.3369 -2213.3369 -3381.5428 3381.5428
2090 0.006833777 -2213.3372 -2213.3372 -3377.3854 3377.3854
2100 0.0034185038 -2213.3373 -2213.3373 -3379.4229 3379.4229
2102 0.0051589712 -2213.3374 -2213.3374 -3383.3876 3383.3876
Loop time of 0.153871 on 1 procs for 152 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.1828168 -2213.33734684 -2213.33736576
Force two-norm initial, final = 6.14217 0.00698718
Force max component initial, final = 2.8723 0.000728349
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 152 152
Pair time (%) = 0.137963 (89.6612)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00127077 (0.825867)
Outpt time (%) = 0.00100803 (0.655116)
Other time (%) = 0.0136297 (8.85785)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2102 0 -2213.3374 -2213.3374 -3383.423 3383.423
2103 3.1831135e-08 -2213.3374 -2213.3374 -3383.423 3383.423
Loop time of 0.002069 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736576 -2213.33736576 -2213.33736576
Force two-norm initial, final = 0.00698718 0.00698718
Force max component initial, final = 0.000728349 0.000728349
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00186324 (90.0553)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.875778)
Outpt time (%) = 0 (0)
Other time (%) = 0.000187635 (9.06891)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2000 0 -2211.1515 -2211.1515 -3411.3121 3411.3121
2010 2.8288955 -2211.3176 -2211.3176 -3416.5366 3416.5366
2020 16.599047 -2212.1748 -2212.1748 -3435.2792 3435.2792
2030 0.1256942 -2212.9951 -2212.9951 -3129.9929 3129.9929
2040 0.065890006 -2213.1761 -2213.1761 -3529.6251 3529.6251
2050 0.97440671 -2213.2393 -2213.2393 -3316.4448 3316.4448
2060 0.1125836 -2213.2993 -2213.2993 -3424.6508 3424.6508
2070 0.42651893 -2213.3181 -2213.3181 -3405.3779 3405.3779
2080 0.0028848432 -2213.3224 -2213.3224 -3360.1994 3360.1994
2090 0.036169989 -2213.325 -2213.325 -3399.6606 3399.6606
2100 0.18784139 -2213.3327 -2213.3327 -3401.4666 3401.4666
2110 0.02965234 -2213.3306 -2213.3306 -3431.0604 3431.0604
2120 0.005448828 -2213.3363 -2213.3363 -3370.5526 3370.5526
2130 0.00023624964 -2213.3367 -2213.3367 -3387.3597 3387.3597
2140 0.0017709647 -2213.3368 -2213.3368 -3381.4302 3381.4302
2150 0.0072035971 -2213.3372 -2213.3372 -3383.8238 3383.8238
2160 1.4966449e-05 -2213.3373 -2213.3373 -3383.3659 3383.3659
2170 0.00033312175 -2213.3373 -2213.3373 -3383.4177 3383.4177
2171 0.00042024571 -2213.3374 -2213.3374 -3383.3761 3383.3761
Loop time of 0.166176 on 1 procs for 171 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.15151375 -2213.33734551 -2213.33735053
Force two-norm initial, final = 6.11763 0.00836675
Force max component initial, final = 2.82204 0.00218552
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 171 171
Pair time (%) = 0.15195 (91.4391)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00141478 (0.851372)
Outpt time (%) = 0.00112939 (0.679634)
Other time (%) = 0.011682 (7.02991)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14272 ave 14272 max 14272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14272
Ave neighs/atom = 27.9295
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2171 0 -2213.3374 -2213.3374 -3383.3789 3383.3789
2172 4.5641736e-08 -2213.3374 -2213.3374 -3383.3789 3383.3789
Loop time of 0.00206709 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735053 -2213.33735053 -2213.33735053
Force two-norm initial, final = 0.00836675 0.00836675
Force max component initial, final = 0.00218552 0.00218552
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00186396 (90.173)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.77278)
Outpt time (%) = 0 (0)
Other time (%) = 0.000187159 (9.05421)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2050 0 -2211.2138 -2211.2138 -3404.7166 3404.7166
2060 2.7662541 -2211.3762 -2211.3762 -3410.2182 3410.2182
2070 16.233065 -2212.2132 -2212.2132 -3430.3201 3430.3201
2080 0.11853152 -2213.0185 -2213.0185 -3141.0086 3141.0086
2090 0.062269189 -2213.198 -2213.198 -3476.3077 3476.3077
2100 0.85743966 -2213.2491 -2213.2491 -3349.0942 3349.0942
2110 1.4940069 -2213.3134 -2213.3134 -3323.542 3323.542
2120 0.023038711 -2213.3245 -2213.3245 -3407.0222 3407.0222
2130 0.10298563 -2213.3309 -2213.3309 -3364.5733 3364.5733
2140 0.024597571 -2213.3339 -2213.3339 -3379.1835 3379.1835
2150 0.0076812584 -2213.3343 -2213.3343 -3382.6657 3382.6657
2160 0.02241453 -2213.3354 -2213.3354 -3374.5772 3374.5772
2170 0.06937067 -2213.3371 -2213.3371 -3379.067 3379.067
2180 0.00012847413 -2213.3371 -2213.3371 -3378.5757 3378.5757
2190 2.2549996e-06 -2213.3372 -2213.3372 -3384.7113 3384.7113
2200 0.00023913776 -2213.3372 -2213.3372 -3383.6109 3383.6109
2210 0.00094453778 -2213.3373 -2213.3373 -3384.2187 3384.2187
2213 0.0014387296 -2213.3373 -2213.3373 -3383.4343 3383.4343
Loop time of 0.158593 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.21379078 -2213.33731988 -2213.33733337
Force two-norm initial, final = 6.0479 0.00913629
Force max component initial, final = 2.83621 0.000928118
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.144986 (91.4203)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00133538 (0.842019)
Outpt time (%) = 0.00105834 (0.667331)
Other time (%) = 0.0112131 (7.07034)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2213 0 -2213.3373 -2213.3373 -3383.4441 3383.4441
2214 5.4423806e-08 -2213.3373 -2213.3373 -3383.4441 3383.4441
Loop time of 0.0020709 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733337 -2213.33733337 -2213.33733337
Force two-norm initial, final = 0.00913629 0.00913629
Force max component initial, final = 0.000928118 0.000928118
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00186205 (89.9148)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.782869)
Outpt time (%) = 0 (0)
Other time (%) = 0.000192642 (9.30233)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
1950 0 -2213.2906 -2213.2906 -3390.0754 3390.0754
1960 0.031920845 -2213.2924 -2213.2924 -3389.8034 3389.8034
1970 0.15656546 -2213.3005 -2213.3005 -3386.9625 3386.9625
1980 0.25232152 -2213.313 -2213.313 -3385.9628 3385.9628
1990 0.00041467541 -2213.3231 -2213.3231 -3384.2401 3384.2401
2000 0.027697769 -2213.3248 -2213.3248 -3384.9053 3384.9053
2010 0.13733943 -2213.332 -2213.332 -3382.5216 3382.5216
2020 0.023862317 -2213.3334 -2213.3334 -3384.0108 3384.0108
2030 0.00016752774 -2213.3344 -2213.3344 -3383.6976 3383.6976
2040 0.004865661 -2213.3347 -2213.3347 -3383.695 3383.695
2050 0.02780044 -2213.3363 -2213.3363 -3383.3417 3383.3417
2060 0.00032569599 -2213.3364 -2213.3364 -3383.4638 3383.4638
2070 0.0036707775 -2213.3366 -2213.3366 -3383.4532 3383.4532
2080 0.00029882594 -2213.3372 -2213.3372 -3383.3325 3383.3325
2090 0.00059927298 -2213.3373 -2213.3373 -3383.385 3383.385
2100 7.9917213e-05 -2213.3373 -2213.3373 -3383.3978 3383.3978
2110 1.5957617e-05 -2213.3373 -2213.3373 -3383.3992 3383.3992
2115 5.352699e-05 -2213.3373 -2213.3373 -3383.3974 3383.3974
Loop time of 0.158331 on 1 procs for 165 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29056649 -2213.33733605 -2213.33733679
Force two-norm initial, final = 0.650226 0.0068591
Force max component initial, final = 0.0796245 0.000515545
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 165 165
Pair time (%) = 0.145021 (91.5937)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00136805 (0.864042)
Outpt time (%) = 0.00106573 (0.673104)
Other time (%) = 0.0108759 (6.86912)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2115 0 -2213.3373 -2213.3373 -3383.3977 3383.3977
2116 3.0674875e-08 -2213.3373 -2213.3373 -3383.3977 3383.3977
Loop time of 0.00206494 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733679 -2213.33733679 -2213.33733679
Force two-norm initial, final = 0.0068591 0.0068591
Force max component initial, final = 0.000515545 0.000515545
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018549 (89.828)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.773583)
Outpt time (%) = 0 (0)
Other time (%) = 0.000194073 (9.39845)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.2909 -2213.2909 -3389.7978 3389.7978
2010 0.029092338 -2213.2926 -2213.2926 -3389.499 3389.499
2020 0.18850322 -2213.3026 -2213.3026 -3387.4894 3387.4894
2030 0.36537775 -2213.3208 -2213.3208 -3384.8207 3384.8207
2040 0.0001763973 -2213.3304 -2213.3304 -3386.5537 3386.5537
2050 0.022768253 -2213.3315 -2213.3315 -3383.6657 3383.6657
2060 0.0063709913 -2213.3319 -2213.3319 -3384.1919 3384.1919
2070 0.034722966 -2213.3339 -2213.3339 -3383.0774 3383.0774
2080 2.4175031e-05 -2213.3354 -2213.3354 -3383.6954 3383.6954
2090 0.003300846 -2213.3356 -2213.3356 -3383.4908 3383.4908
2100 0.018000262 -2213.3367 -2213.3367 -3383.3095 3383.3095
2110 0.00015225243 -2213.3367 -2213.3367 -3383.4946 3383.4946
2120 0.0022328867 -2213.3369 -2213.3369 -3383.4432 3383.4432
2130 0.00010565957 -2213.3372 -2213.3372 -3383.5416 3383.5416
2140 0.00027867119 -2213.3373 -2213.3373 -3383.4285 3383.4285
2150 0.00012497622 -2213.3373 -2213.3373 -3383.4008 3383.4008
2159 9.3056878e-06 -2213.3373 -2213.3373 -3383.3968 3383.3968
Loop time of 0.153497 on 1 procs for 159 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29091087 -2213.3373431 -2213.33734327
Force two-norm initial, final = 0.609316 0.00872177
Force max component initial, final = 0.0610932 0.00064683
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 159 159
Pair time (%) = 0.140346 (91.4321)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00133443 (0.869352)
Outpt time (%) = 0.00100446 (0.654383)
Other time (%) = 0.0108125 (7.04413)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2159 0 -2213.3373 -2213.3373 -3383.3969 3383.3969
2160 4.9597343e-08 -2213.3373 -2213.3373 -3383.3969 3383.3969
Loop time of 0.00219703 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734327 -2213.33734327 -2213.33734327
Force two-norm initial, final = 0.00872177 0.00872177
Force max component initial, final = 0.00064683 0.00064683
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00198817 (90.4938)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.770483)
Outpt time (%) = 0 (0)
Other time (%) = 0.000191927 (8.73576)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.2901 -2213.2901 -3389.3146 3389.3146
2060 0.031430561 -2213.292 -2213.292 -3389.0668 3389.0668
2070 0.20141218 -2213.3027 -2213.3027 -3387.4853 3387.4853
2080 0.36383334 -2213.3204 -2213.3204 -3384.4502 3384.4502
2090 0.00014787273 -2213.3305 -2213.3305 -3386.3122 3386.3122
2100 3.9692144e-05 -2213.3313 -2213.3313 -3384.2604 3384.2604
2110 0.0058722814 -2213.3316 -2213.3316 -3384.2842 3384.2842
2120 0.03120725 -2213.3335 -2213.3335 -3383.3254 3383.3254
2130 0.018161215 -2213.3364 -2213.3364 -3383.111 3383.111
2140 0.0021161025 -2213.3366 -2213.3366 -3383.7112 3383.7112
2150 0.00013139842 -2213.337 -2213.337 -3383.8912 3383.8912
2160 0.00041986114 -2213.3371 -2213.3371 -3383.323 3383.323
2170 0.0016046174 -2213.3372 -2213.3372 -3383.2966 3383.2966
2180 1.4641687e-05 -2213.3372 -2213.3372 -3383.4673 3383.4673
2190 0.00029941659 -2213.3372 -2213.3372 -3383.3982 3383.3982
2200 0.0017752381 -2213.3373 -2213.3373 -3383.3382 3383.3382
2210 2.6197438e-05 -2213.3374 -2213.3374 -3383.367 3383.367
2212 5.8804864e-05 -2213.3374 -2213.3374 -3383.3811 3383.3811
Loop time of 0.156412 on 1 procs for 162 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29014077 -2213.3373713 -2213.33737209
Force two-norm initial, final = 0.63301 0.00674629
Force max component initial, final = 0.0711636 0.000520185
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 162 162
Pair time (%) = 0.142767 (91.2764)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00133967 (0.856503)
Outpt time (%) = 0.0010705 (0.684409)
Other time (%) = 0.0112345 (7.18264)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2212 0 -2213.3374 -2213.3374 -3383.3815 3383.3815
2213 2.9671001e-08 -2213.3374 -2213.3374 -3383.3815 3383.3815
Loop time of 0.00206614 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737209 -2213.33737209 -2213.33737209
Force two-norm initial, final = 0.00674593 0.00674593
Force max component initial, final = 0.000513732 0.000513732
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185204 (89.6377)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.761597)
Outpt time (%) = 0 (0)
Other time (%) = 0.000198364 (9.60074)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.2785 -2213.2785 -3393.1909 3393.1909
2010 0.016283888 -2213.2794 -2213.2794 -3392.6676 3392.6676
2020 0.1133935 -2213.2853 -2213.2853 -3388.1537 3388.1537
2030 0.38126259 -2213.3057 -2213.3057 -3386.6501 3386.6501
2040 0.17922089 -2213.3331 -2213.3331 -3381.1547 3381.1547
2050 0.00017605599 -2213.3345 -2213.3345 -3383.554 3383.554
2060 0.0065406776 -2213.3348 -2213.3348 -3383.3599 3383.3599
2070 0.03320888 -2213.3363 -2213.3363 -3383.2264 3383.2264
2080 0.00028712648 -2213.3369 -2213.3369 -3383.1365 3383.1365
2090 0.00016522329 -2213.3371 -2213.3371 -3383.6083 3383.6083
2100 0.00057145463 -2213.3372 -2213.3372 -3383.4469 3383.4469
2110 0.00029872629 -2213.3373 -2213.3373 -3383.4985 3383.4985
2120 5.3488585e-06 -2213.3373 -2213.3373 -3383.461 3383.461
2130 0.00028916765 -2213.3373 -2213.3373 -3383.427 3383.427
2132 0.00047094332 -2213.3373 -2213.3373 -3383.4297 3383.4297
Loop time of 0.127276 on 1 procs for 132 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27845982 -2213.33734087 -2213.33734567
Force two-norm initial, final = 0.459655 0.00924948
Force max component initial, final = 0.0415206 0.000848245
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 132 132
Pair time (%) = 0.116329 (91.3988)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00108242 (0.850452)
Outpt time (%) = 0.000863552 (0.678488)
Other time (%) = 0.00900126 (7.07224)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2132 0 -2213.3373 -2213.3373 -3383.4329 3383.4329
2133 5.4047321e-08 -2213.3373 -2213.3373 -3383.4329 3383.4329
Loop time of 0.002074 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734567 -2213.33734567 -2213.33734567
Force two-norm initial, final = 0.00910464 0.00910464
Force max component initial, final = 0.000709293 0.000709293
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018518 (89.2861)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.770203)
Outpt time (%) = 0 (0)
Other time (%) = 0.000206232 (9.94367)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.2917 -2213.2917 -3394.4876 3394.4876
2060 0.015582959 -2213.2927 -2213.2927 -3393.6974 3393.6974
2070 0.10711606 -2213.2983 -2213.2983 -3387.3132 3387.3132
2080 0.30056637 -2213.3146 -2213.3146 -3387.7143 3387.7143
2090 0.21759891 -2213.3305 -2213.3305 -3381.4633 3381.4633
2100 0.00031072559 -2213.3321 -2213.3321 -3383.445 3383.445
2110 0.012341885 -2213.3327 -2213.3327 -3382.5392 3382.5392
2120 0.06429465 -2213.336 -2213.336 -3382.9108 3382.9108
2130 0.00012911607 -2213.3371 -2213.3371 -3383.5126 3383.5126
2140 0.0021959232 -2213.3372 -2213.3372 -3383.5466 3383.5466
2150 0.00034137391 -2213.3373 -2213.3373 -3383.4659 3383.4659
2159 6.2775953e-05 -2213.3374 -2213.3374 -3383.4563 3383.4563
Loop time of 0.108775 on 1 procs for 109 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29174101 -2213.33735101 -2213.33735157
Force two-norm initial, final = 0.449794 0.00761038
Force max component initial, final = 0.0562533 0.000627572
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 109 109
Pair time (%) = 0.0971732 (89.334)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000899553 (0.826984)
Outpt time (%) = 0.00067234 (0.618101)
Other time (%) = 0.01003 (9.22089)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2159 0 -2213.3374 -2213.3374 -3383.4567 3383.4567
2160 3.7762567e-08 -2213.3374 -2213.3374 -3383.4567 3383.4567
Loop time of 0.00225806 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735157 -2213.33735157 -2213.33735157
Force two-norm initial, final = 0.00761038 0.00761038
Force max component initial, final = 0.000627572 0.000627572
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0019908 (88.1639)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.760215)
Outpt time (%) = 0 (0)
Other time (%) = 0.000250101 (11.0759)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.2912 -2213.2912 -3393.6683 3393.6683
2110 0.01596239 -2213.2921 -2213.2921 -3393.0081 3393.0081
2120 0.11111184 -2213.2979 -2213.2979 -3387.5715 3387.5715
2130 0.3061869 -2213.3144 -2213.3144 -3386.9821 3386.9821
2140 0.20277557 -2213.3305 -2213.3305 -3381.0809 3381.0809
2150 0.00029217173 -2213.3321 -2213.3321 -3383.2916 3383.2916
2160 0.012043525 -2213.3328 -2213.3328 -3382.589 3382.589
2170 0.064729016 -2213.336 -2213.336 -3382.8096 3382.8096
2180 0.00013606764 -2213.3371 -2213.3371 -3383.4519 3383.4519
2190 0.0021867543 -2213.3372 -2213.3372 -3383.5941 3383.5941
2200 0.00030136711 -2213.3373 -2213.3373 -3383.4662 3383.4662
2208 4.8321105e-05 -2213.3374 -2213.3374 -3383.4576 3383.4576
Loop time of 0.106915 on 1 procs for 108 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29115938 -2213.33735165 -2213.33735218
Force two-norm initial, final = 0.454947 0.00819402
Force max component initial, final = 0.0602367 0.000719444
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 108 108
Pair time (%) = 0.0954046 (89.2341)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000883341 (0.826209)
Outpt time (%) = 0.000662088 (0.619266)
Other time (%) = 0.00996494 (9.32044)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2208 0 -2213.3374 -2213.3374 -3383.4579 3383.4579
2209 4.3776685e-08 -2213.3374 -2213.3374 -3383.4579 3383.4579
Loop time of 0.00212407 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735218 -2213.33735218 -2213.33735218
Force two-norm initial, final = 0.00819402 0.00819402
Force max component initial, final = 0.000719444 0.000719444
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185323 (87.2488)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.85307)
Outpt time (%) = 0 (0)
Other time (%) = 0.000252724 (11.8981)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.2844 -2213.2844 -3387.3386 3387.3386
2060 0.0085776798 -2213.2849 -2213.2849 -3387.3669 3387.3669
2070 0.078647239 -2213.2892 -2213.2892 -3387.2963 3387.2963
2080 0.39477568 -2213.3099 -2213.3099 -3382.3567 3382.3567
2090 0.057081168 -2213.3356 -2213.3356 -3382.9747 3382.9747
2100 2.5940549e-05 -2213.3361 -2213.3361 -3383.3546 3383.3546
2110 0.0027132571 -2213.3363 -2213.3363 -3383.8695 3383.8695
2120 0.010004395 -2213.3369 -2213.3369 -3383.3427 3383.3427
2130 6.711944e-05 -2213.3371 -2213.3371 -3383.3705 3383.3705
2140 0.0011113769 -2213.3371 -2213.3371 -3383.6655 3383.6655
2150 0.00016057573 -2213.3373 -2213.3373 -3383.7193 3383.7193
2160 0.00012775832 -2213.3373 -2213.3373 -3383.4463 3383.4463
2168 0.00042903649 -2213.3373 -2213.3373 -3383.4479 3383.4479
Loop time of 0.116941 on 1 procs for 118 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28441419 -2213.33733525 -2213.33733995
Force two-norm initial, final = 0.329684 0.00843485
Force max component initial, final = 0.0290021 0.0007066
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 118 118
Pair time (%) = 0.104064 (88.9889)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000974417 (0.833255)
Outpt time (%) = 0.000736237 (0.62958)
Other time (%) = 0.0111659 (9.54828)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2168 0 -2213.3373 -2213.3373 -3383.4509 3383.4509
2169 4.6387754e-08 -2213.3373 -2213.3373 -3383.4509 3383.4509
Loop time of 0.00209188 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733995 -2213.33733995 -2213.33733995
Force two-norm initial, final = 0.00843485 0.00843485
Force max component initial, final = 0.0007066 0.0007066
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018549 (88.6711)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.809209)
Outpt time (%) = 0 (0)
Other time (%) = 0.00022006 (10.5197)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.3114 -2213.3114 -3386.639 3386.639
2110 0.0088036718 -2213.312 -2213.312 -3386.5815 3386.5815
2120 0.059512956 -2213.3152 -2213.3152 -3385.93 3385.93
2130 0.17633296 -2213.3244 -2213.3244 -3383.9588 3383.9588
2140 0.12903186 -2213.3354 -2213.3354 -3381.9175 3381.9175
2150 0.00010969142 -2213.3361 -2213.3361 -3382.9385 3382.9385
2160 0.0040324469 -2213.3363 -2213.3363 -3383.1722 3383.1722
2170 0.016454826 -2213.337 -2213.337 -3383.1753 3383.1753
2180 6.1389517e-05 -2213.3371 -2213.3371 -3383.2758 3383.2758
2190 0.00074421055 -2213.3372 -2213.3372 -3383.4133 3383.4133
2200 6.1663405e-05 -2213.3373 -2213.3373 -3383.4342 3383.4342
2210 6.7397547e-05 -2213.3373 -2213.3373 -3383.3772 3383.3772
2220 0.00038862725 -2213.3373 -2213.3373 -3383.3891 3383.3891
2224 0.00067339268 -2213.3374 -2213.3374 -3383.3729 3383.3729
Loop time of 0.124165 on 1 procs for 124 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3114491 -2213.33734973 -2213.33735757
Force two-norm initial, final = 0.338295 0.00675978
Force max component initial, final = 0.0488133 0.00058272
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 124 124
Pair time (%) = 0.110936 (89.3455)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00102067 (0.822027)
Outpt time (%) = 0.000807762 (0.650555)
Other time (%) = 0.0114007 (9.18189)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2224 0 -2213.3374 -2213.3374 -3383.3775 3383.3775
2225 2.9792957e-08 -2213.3374 -2213.3374 -3383.3775 3383.3775
Loop time of 0.00209904 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735757 -2213.33735757 -2213.33735757
Force two-norm initial, final = 0.00675978 0.00675978
Force max component initial, final = 0.00058272 0.00058272
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185418 (88.3348)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.715584)
Outpt time (%) = 0 (0)
Other time (%) = 0.000229836 (10.9496)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.3114 -2213.3114 -3384.5025 3384.5025
2160 0.0096958392 -2213.312 -2213.312 -3384.7845 3384.7845
2170 0.060047867 -2213.3152 -2213.3152 -3386.6126 3386.6126
2180 0.17564129 -2213.3246 -2213.3246 -3382.9672 3382.9672
2190 0.042394437 -2213.3345 -2213.3345 -3383.0331 3383.0331
2200 0.011536236 -2213.335 -2213.335 -3382.6351 3382.6351
2210 0.00047180129 -2213.3366 -2213.3366 -3382.6646 3382.6646
2220 0.00096180842 -2213.3369 -2213.3369 -3383.5039 3383.5039
2230 0.0035256541 -2213.337 -2213.337 -3383.5385 3383.5385
2240 3.3338449e-06 -2213.3372 -2213.3372 -3383.4597 3383.4597
2250 0.00033084085 -2213.3372 -2213.3372 -3383.3582 3383.3582
2260 0.0017833614 -2213.3373 -2213.3373 -3383.2676 3383.2676
2270 0.00015096167 -2213.3374 -2213.3374 -3383.2674 3383.2674
2273 0.00037118459 -2213.3374 -2213.3374 -3383.391 3383.391
Loop time of 0.122514 on 1 procs for 123 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31143772 -2213.33737891 -2213.3373804
Force two-norm initial, final = 0.356425 0.00358424
Force max component initial, final = 0.0387666 0.000328399
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 123 123
Pair time (%) = 0.108982 (88.955)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00100803 (0.822791)
Outpt time (%) = 0.000799894 (0.6529)
Other time (%) = 0.0117238 (9.56932)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2273 0 -2213.3374 -2213.3374 -3383.3936 3383.3936
2274 8.3761119e-09 -2213.3374 -2213.3374 -3383.3936 3383.3936
Loop time of 0.00209713 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373804 -2213.3373804 -2213.3373804
Force two-norm initial, final = 0.00358424 0.00358424
Force max component initial, final = 0.000328399 0.000328399
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018518 (88.3015)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.807185)
Outpt time (%) = 0 (0)
Other time (%) = 0.000228405 (10.8913)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.2911 -2213.2911 -3386.1543 3386.1543
2110 0.0067458181 -2213.2915 -2213.2915 -3386.1894 3386.1894
2120 0.062212323 -2213.295 -2213.295 -3386.328 3386.328
2130 0.30906102 -2213.3116 -2213.3116 -3382.651 3382.651
2140 0.023065831 -2213.334 -2213.334 -3382.4255 3382.4255
2150 0.013142433 -2213.3356 -2213.3356 -3383.2813 3383.2813
2160 0.0046662901 -2213.3367 -2213.3367 -3383.6018 3383.6018
2170 0.00045771326 -2213.3368 -2213.3368 -3383.4129 3383.4129
2180 0.0030198721 -2213.337 -2213.337 -3383.3961 3383.3961
2190 0.00074665208 -2213.3372 -2213.3372 -3383.2216 3383.2216
2200 0.0004124141 -2213.3373 -2213.3373 -3383.3001 3383.3001
2210 5.0529423e-05 -2213.3373 -2213.3373 -3383.3606 3383.3606
2212 9.7858008e-05 -2213.3373 -2213.3373 -3383.3556 3383.3556
Loop time of 0.111091 on 1 procs for 112 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29114135 -2213.33732637 -2213.33732761
Force two-norm initial, final = 0.292372 0.00977757
Force max component initial, final = 0.0269891 0.000868219
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 112 112
Pair time (%) = 0.0990222 (89.1362)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000916958 (0.825412)
Outpt time (%) = 0.000734329 (0.661017)
Other time (%) = 0.0104175 (9.37742)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2212 0 -2213.3373 -2213.3373 -3383.3563 3383.3563
2213 6.3011642e-08 -2213.3373 -2213.3373 -3383.3563 3383.3563
Loop time of 0.00211811 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33732761 -2213.33732761 -2213.33732761
Force two-norm initial, final = 0.00983073 0.00983073
Force max component initial, final = 0.000861258 0.000861258
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185513 (87.5844)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.855471)
Outpt time (%) = 0 (0)
Other time (%) = 0.000244856 (11.5601)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.3151 -2213.3151 -3383.8638 3383.8638
2160 0.0040193476 -2213.3153 -2213.3153 -3383.9302 3383.9302
2170 0.036935528 -2213.3174 -2213.3174 -3384.3476 3384.3476
2180 0.17823196 -2213.3267 -2213.3267 -3381.9544 3381.9544
2190 0.013386386 -2213.3358 -2213.3358 -3382.5253 3382.5253
2200 0.0043354135 -2213.3365 -2213.3365 -3383.7595 3383.7595
2210 0.0021843682 -2213.3369 -2213.3369 -3384.112 3384.112
2220 0.00064343065 -2213.337 -2213.337 -3383.7981 3383.7981
2230 0.0032841067 -2213.3372 -2213.3372 -3383.6815 3383.6815
2240 0.00035743376 -2213.3373 -2213.3373 -3383.4579 3383.4579
2250 0.00013485505 -2213.3374 -2213.3374 -3383.4728 3383.4728
2255 0.00034776884 -2213.3374 -2213.3374 -3383.4455 3383.4455
Loop time of 0.104316 on 1 procs for 105 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31507143 -2213.33736331 -2213.33736629
Force two-norm initial, final = 0.225604 0.0081075
Force max component initial, final = 0.0177167 0.000640055
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 105 105
Pair time (%) = 0.0931647 (89.3101)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000881195 (0.844736)
Outpt time (%) = 0.000665426 (0.637895)
Other time (%) = 0.00960469 (9.20731)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2255 0 -2213.3374 -2213.3374 -3383.4479 3383.4479
2256 4.2857055e-08 -2213.3374 -2213.3374 -3383.4479 3383.4479
Loop time of 0.00212884 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736629 -2213.33736629 -2213.33736629
Force two-norm initial, final = 0.0081075 0.0081075
Force max component initial, final = 0.000640055 0.000640055
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.001863 (87.5126)
Neigh time (%) = 0 (0)
Comm time (%) = 1.78814e-05 (0.83996)
Outpt time (%) = 0 (0)
Other time (%) = 0.000247955 (11.6474)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.3127 -2213.3127 -3381.0479 3381.0479
2210 0.0074284666 -2213.3131 -2213.3131 -3381.5263 3381.5263
2220 0.053618384 -2213.316 -2213.316 -3384.9061 3384.9061
2230 0.1922799 -2213.326 -2213.326 -3380.3723 3380.3723
2240 0.071121573 -2213.336 -2213.336 -3381.631 3381.631
2250 6.1072974e-05 -2213.3365 -2213.3365 -3383.3667 3383.3667
2260 0.0022713211 -2213.3366 -2213.3366 -3384.1055 3384.1055
2270 0.0097434326 -2213.3371 -2213.3371 -3383.3925 3383.3925
2280 3.7073938e-05 -2213.3373 -2213.3373 -3383.3793 3383.3793
2290 0.00081973315 -2213.3373 -2213.3373 -3383.2406 3383.2406
2300 7.8596649e-05 -2213.3374 -2213.3374 -3383.3905 3383.3905
Loop time of 0.103723 on 1 procs for 100 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3126737 -2213.33736957 -2213.33737068
Force two-norm initial, final = 0.309961 0.00588412
Force max component initial, final = 0.0625707 0.000553778
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 100 100
Pair time (%) = 0.0914249 (88.1433)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000838041 (0.807961)
Outpt time (%) = 0.000614405 (0.592351)
Other time (%) = 0.0108457 (10.4564)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2300 0 -2213.3374 -2213.3374 -3383.3911 3383.3911
2301 2.2574191e-08 -2213.3374 -2213.3374 -3383.3911 3383.3911
Loop time of 0.00215602 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737068 -2213.33737068 -2213.33737068
Force two-norm initial, final = 0.00588412 0.00588412
Force max component initial, final = 0.000553778 0.000553778
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00188804 (87.5705)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.729846)
Outpt time (%) = 0 (0)
Other time (%) = 0.000252247 (11.6997)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.2676 -2213.2676 -3389.2515 3389.2515
2160 0.012787566 -2213.2684 -2213.2684 -3389.2272 3389.2272
2170 0.10347022 -2213.2739 -2213.2739 -3389.0431 3389.0431
2180 0.26466815 -2213.2894 -2213.2894 -3387.1241 3387.1241
2190 0.074396939 -2213.3172 -2213.3172 -3385.7379 3385.7379
2200 0.045669436 -2213.3263 -2213.3263 -3384.3238 3384.3238
2210 0.0045255401 -2213.3321 -2213.3321 -3383.3863 3383.3863
2220 0.0018888083 -2213.3331 -2213.3331 -3383.986 3383.986
2230 0.019594347 -2213.3342 -2213.3342 -3383.597 3383.597
2240 0.0019972565 -2213.3364 -2213.3364 -3383.4174 3383.4174
2250 0.0011644011 -2213.3366 -2213.3366 -3383.4621 3383.4621
2260 0.0059437752 -2213.3369 -2213.3369 -3383.4213 3383.4213
2270 2.345448e-05 -2213.3372 -2213.3372 -3383.4237 3383.4237
2280 0.00061898737 -2213.3372 -2213.3372 -3383.4053 3383.4053
2286 0.0018761348 -2213.3373 -2213.3373 -3383.3854 3383.3854
Loop time of 0.134729 on 1 procs for 136 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26760672 -2213.33727715 -2213.3372954
Force two-norm initial, final = 0.40424 0.00959202
Force max component initial, final = 0.0557971 0.000728841
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 136 136
Pair time (%) = 0.120157 (89.1843)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00111103 (0.824642)
Outpt time (%) = 0.00087738 (0.651219)
Other time (%) = 0.0125835 (9.33986)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2286 0 -2213.3373 -2213.3373 -3383.3982 3383.3982
2290 1.3357135e-06 -2213.3373 -2213.3373 -3383.3984 3383.3984
2300 2.8195007e-05 -2213.3373 -2213.3373 -3383.4012 3383.4012
2310 0.00022713212 -2213.3373 -2213.3373 -3383.406 3383.406
2320 0.0013526357 -2213.3373 -2213.3373 -3383.4019 3383.4019
2330 7.5667854e-05 -2213.3372 -2213.3372 -3383.4184 3383.4184
2340 0.00081398387 -2213.3372 -2213.3372 -3383.4211 3383.4211
2350 3.6640169e-06 -2213.3371 -2213.3371 -3383.4302 3383.4302
2360 0.00059692309 -2213.337 -2213.337 -3383.4261 3383.4261
2370 0.0080812928 -2213.3366 -2213.3366 -3383.4143 3383.4143
2380 0.002932482 -2213.3345 -2213.3345 -3383.5201 3383.5201
2390 0.037660967 -2213.3344 -2213.3344 -3383.3375 3383.3375
2400 0.032707884 -2213.3324 -2213.3324 -3383.5713 3383.5713
2410 0.0050099263 -2213.3327 -2213.3327 -3383.8609 3383.8609
2420 0.010982837 -2213.3319 -2213.3319 -3383.9898 3383.9898
2430 0.0024877105 -2213.332 -2213.332 -3384.028 3384.028
2440 0.02312688 -2213.3309 -2213.3309 -3383.9451 3383.9451
2450 0.18277639 -2213.3119 -2213.3119 -3383.8304 3383.8304
2460 0.019671401 -2213.3188 -2213.3188 -3385.2661 3385.2661
2470 0.013079766 -2213.3111 -2213.3111 -3385.6969 3385.6969
2480 0.0052743751 -2213.3133 -2213.3133 -3386.044 3386.044
2486 0.029413489 -2213.3121 -2213.3121 -3386.0119 3386.0119
Loop time of 0.19788 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.3372954 -2213.31244894 -2213.31208125
Force two-norm initial, final = 0.0113195 0.18841
Force max component initial, final = 0.00101231 0.0149382
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.175001 (88.4381)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0016458 (0.831718)
Outpt time (%) = 0.00140119 (0.708099)
Other time (%) = 0.0198317 (10.0221)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.3246 -2213.3246 -3382.2982 3382.2982
2210 0.0056262143 -2213.3249 -2213.3249 -3382.5301 3382.5301
2220 0.038561989 -2213.327 -2213.327 -3384.2685 3384.2685
2230 0.10392669 -2213.3325 -2213.3325 -3383.2459 3383.2459
2240 0.045069421 -2213.3358 -2213.3358 -3382.8919 3382.8919
2250 0.0087958211 -2213.3363 -2213.3363 -3382.8793 3382.8793
2260 0.00069316525 -2213.3369 -2213.3369 -3382.9609 3382.9609
2270 0.0012704912 -2213.3372 -2213.3372 -3383.5325 3383.5325
2280 0.00018447662 -2213.3372 -2213.3372 -3383.3884 3383.3884
2290 0.0009476207 -2213.3373 -2213.3373 -3383.4286 3383.4286
2300 0.0033213269 -2213.3373 -2213.3373 -3383.248 3383.248
2310 0.00026659643 -2213.3374 -2213.3374 -3383.412 3383.412
2320 3.246168e-05 -2213.3374 -2213.3374 -3383.4008 3383.4008
2329 0.00017090688 -2213.3374 -2213.3374 -3383.3934 3383.3934
Loop time of 0.130171 on 1 procs for 129 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32459851 -2213.33737684 -2213.33737825
Force two-norm initial, final = 0.270476 0.00471248
Force max component initial, final = 0.0260982 0.00041864
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 129 129
Pair time (%) = 0.114435 (87.9116)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00110102 (0.845825)
Outpt time (%) = 0.000831127 (0.63849)
Other time (%) = 0.0138035 (10.6041)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2329 0 -2213.3374 -2213.3374 -3383.3945 3383.3945
2330 1.4479341e-08 -2213.3374 -2213.3374 -3383.3945 3383.3945
Loop time of 0.002285 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737825 -2213.33737825 -2213.33737825
Force two-norm initial, final = 0.00471248 0.00471248
Force max component initial, final = 0.00041864 0.00041864
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00202107 (88.4495)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.699082)
Outpt time (%) = 0 (0)
Other time (%) = 0.000247955 (10.8514)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.3232 -2213.3232 -3386.1307 3386.1307
2260 0.014315687 -2213.324 -2213.324 -3385.6591 3385.6591
2270 0.072452573 -2213.3279 -2213.3279 -3382.4101 3382.4101
2280 0.096531741 -2213.3322 -2213.3322 -3386.641 3386.641
2290 0.087694645 -2213.3356 -2213.3356 -3382.4249 3382.4249
2300 0.014852204 -2213.3362 -2213.3362 -3383.0975 3383.0975
2310 0.0052387353 -2213.3365 -2213.3365 -3383.2482 3383.2482
2320 0.010182615 -2213.3369 -2213.3369 -3383.2259 3383.2259
2330 0.00012705652 -2213.3372 -2213.3372 -3383.4635 3383.4635
2340 0.00071023099 -2213.3372 -2213.3372 -3383.3459 3383.3459
2350 0.00032149007 -2213.3372 -2213.3372 -3383.1807 3383.1807
2360 4.2784636e-05 -2213.3373 -2213.3373 -3383.405 3383.405
2370 0.00037796845 -2213.3374 -2213.3374 -3383.4226 3383.4226
2380 0.0001355775 -2213.3374 -2213.3374 -3383.334 3383.334
2381 0.00024895216 -2213.3374 -2213.3374 -3383.3858 3383.3858
Loop time of 0.133261 on 1 procs for 131 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32316367 -2213.33738474 -2213.33738834
Force two-norm initial, final = 0.435061 0.00351724
Force max component initial, final = 0.0495842 0.000262112
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 131 131
Pair time (%) = 0.117797 (88.3957)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00109673 (0.822989)
Outpt time (%) = 0.000886917 (0.665548)
Other time (%) = 0.0134804 (10.1158)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2381 0 -2213.3374 -2213.3374 -3383.3875 3383.3875
2382 8.0658909e-09 -2213.3374 -2213.3374 -3383.3875 3383.3875
Loop time of 0.00207996 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738834 -2213.33738834 -2213.33738834
Force two-norm initial, final = 0.00351724 0.00351724
Force max component initial, final = 0.000262112 0.000262112
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185609 (89.2366)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.813847)
Outpt time (%) = 0 (0)
Other time (%) = 0.000206947 (9.94956)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.2622 -2213.2622 -3390.6318 3390.6318
2210 0.015953916 -2213.2631 -2213.2631 -3390.5775 3390.5775
2220 0.13321139 -2213.2702 -2213.2702 -3389.9763 3389.9763
2230 0.39211617 -2213.2916 -2213.2916 -3385.6388 3385.6388
2240 0.053659551 -2213.3264 -2213.3264 -3383.4774 3383.4774
2250 0.02712672 -2213.3286 -2213.3286 -3383.4865 3383.4865
2260 0.097540758 -2213.3342 -2213.3342 -3382.6944 3382.6944
2270 0.0012900165 -2213.3353 -2213.3353 -3383.4962 3383.4962
2280 0.009441237 -2213.3359 -2213.3359 -3383.4775 3383.4775
2290 0.0015542643 -2213.3366 -2213.3366 -3383.4589 3383.4589
2300 0.00020768622 -2213.3369 -2213.3369 -3383.5181 3383.5181
2310 0.00051487559 -2213.337 -2213.337 -3383.4127 3383.4127
2320 8.9971488e-05 -2213.337 -2213.337 -3383.4345 3383.4345
2330 0.00052580116 -2213.3371 -2213.3371 -3383.4252 3383.4252
2340 0.00010103232 -2213.3372 -2213.3372 -3383.5146 3383.5146
2342 0.00076391902 -2213.3372 -2213.3372 -3383.4316 3383.4316
Loop time of 0.140209 on 1 procs for 142 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.2621997 -2213.33723319 -2213.33724675
Force two-norm initial, final = 0.450866 0.00924409
Force max component initial, final = 0.0607718 0.000624226
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 142 142
Pair time (%) = 0.126289 (90.0719)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00118184 (0.842914)
Outpt time (%) = 0.000960827 (0.685282)
Other time (%) = 0.0117774 (8.39989)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2342 0 -2213.3372 -2213.3372 -3383.4369 3383.4369
2350 9.6780866e-06 -2213.3372 -2213.3372 -3383.4343 3383.4343
2360 0.00010800832 -2213.3372 -2213.3372 -3383.4101 3383.4101
2370 0.00079815292 -2213.3372 -2213.3372 -3383.4233 3383.4233
2380 0.00069406875 -2213.3369 -2213.3369 -3383.5334 3383.5334
2390 0.00052400021 -2213.3369 -2213.3369 -3383.4618 3383.4618
2400 0.0047528095 -2213.3366 -2213.3366 -3383.48 3383.48
2410 0.0002406837 -2213.3365 -2213.3365 -3383.4932 3383.4932
2420 0.0043676332 -2213.3363 -2213.3363 -3383.4713 3383.4713
2430 0.059783707 -2213.3323 -2213.3323 -3383.4745 3383.4745
2440 0.042863373 -2213.331 -2213.331 -3383.63 3383.63
2450 0.20026891 -2213.3153 -2213.3153 -3381.4043 3381.4043
2460 0.027345076 -2213.3214 -2213.3214 -3384.4521 3384.4521
2470 0.14350009 -2213.3287 -2213.3287 -3382.4644 3382.4644
2480 0.016973519 -2213.3356 -2213.3356 -3383.4884 3383.4884
2490 0.0020385556 -2213.336 -2213.336 -3383.5655 3383.5655
2500 0.0064805254 -2213.3358 -2213.3358 -3383.4861 3383.4861
2510 0.00013370696 -2213.3355 -2213.3355 -3383.5532 3383.5532
2520 0.0039278802 -2213.3355 -2213.3355 -3383.5501 3383.5501
2530 0.022261343 -2213.3335 -2213.3335 -3383.6148 3383.6148
2540 0.0047728027 -2213.333 -2213.333 -3383.7666 3383.7666
2542 0.0068744955 -2213.3331 -2213.3331 -3383.7646 3383.7646
Loop time of 0.196105 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33724675 -2213.33306866 -2213.33306838
Force two-norm initial, final = 0.014739 0.0770415
Force max component initial, final = 0.00100728 0.00651434
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.176663 (90.0859)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00162578 (0.829034)
Outpt time (%) = 0.00143266 (0.730556)
Other time (%) = 0.0163836 (8.35453)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.3227 -2213.3227 -3386.3184 3386.3184
2260 0.017094457 -2213.3237 -2213.3237 -3386.0292 3386.0292
2270 0.089142586 -2213.3286 -2213.3286 -3383.9095 3383.9095
2280 0.087625923 -2213.3314 -2213.3314 -3385.2329 3385.2329
2290 0.11283861 -2213.335 -2213.335 -3382.1942 3382.1942
2300 0.014946392 -2213.3358 -2213.3358 -3383.0762 3383.0762
2310 0.0016022619 -2213.3364 -2213.3364 -3383.1777 3383.1777
2320 0.0029099746 -2213.3371 -2213.3371 -3383.3735 3383.3735
2330 0.00036655362 -2213.3371 -2213.3371 -3383.385 3383.385
2340 0.0010027922 -2213.3372 -2213.3372 -3383.4082 3383.4082
2350 0.0079753891 -2213.3372 -2213.3372 -3383.2324 3383.2324
2360 0.00082119339 -2213.3374 -2213.3374 -3383.3931 3383.3931
2370 5.6224968e-05 -2213.3374 -2213.3374 -3383.393 3383.393
2380 0.00018922205 -2213.3374 -2213.3374 -3383.3903 3383.3903
2390 0.00033430037 -2213.3374 -2213.3374 -3383.3663 3383.3663
2398 0.00014342882 -2213.3374 -2213.3374 -3383.3954 3383.3954
Loop time of 0.143041 on 1 procs for 148 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32272121 -2213.33738656 -2213.3373873
Force two-norm initial, final = 0.474533 0.00215837
Force max component initial, final = 0.0642964 0.000324592
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 148 148
Pair time (%) = 0.13023 (91.044)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00121212 (0.847393)
Outpt time (%) = 0.000930786 (0.650712)
Other time (%) = 0.0106678 (7.45786)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2398 0 -2213.3374 -2213.3374 -3383.3964 3383.3964
2399 3.037401e-09 -2213.3374 -2213.3374 -3383.3964 3383.3964
Loop time of 0.00208616 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373873 -2213.3373873 -2213.3373873
Force two-norm initial, final = 0.00215837 0.00215837
Force max component initial, final = 0.000324592 0.000324592
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185394 (88.8686)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.72)
Outpt time (%) = 0 (0)
Other time (%) = 0.000217199 (10.4114)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2300 0 -2213.3112 -2213.3112 -3388.7247 3388.7247
2310 0.013352856 -2213.3119 -2213.3119 -3388.3346 3388.3346
2320 0.097513749 -2213.3172 -2213.3172 -3385.5408 3385.5408
2330 0.17325116 -2213.3258 -2213.3258 -3386.0766 3386.0766
2340 0.086103203 -2213.3324 -2213.3324 -3384.0614 3384.0614
2350 0.024440072 -2213.3341 -2213.3341 -3384.6897 3384.6897
2360 0.000624337 -2213.3368 -2213.3368 -3384.6263 3384.6263
2370 0.0011088582 -2213.3371 -2213.3371 -3383.0259 3383.0259
2380 0.0029960442 -2213.3372 -2213.3372 -3382.9497 3382.9497
2390 1.6451912e-05 -2213.3372 -2213.3372 -3383.4551 3383.4551
2400 0.00032203674 -2213.3373 -2213.3373 -3383.226 3383.226
2410 0.0015358489 -2213.3373 -2213.3373 -3383.2877 3383.2877
2420 1.3253897e-05 -2213.3373 -2213.3373 -3383.3951 3383.3951
2430 0.00013308092 -2213.3374 -2213.3374 -3383.3817 3383.3817
2438 0.00051308931 -2213.3374 -2213.3374 -3383.3774 3383.3774
Loop time of 0.133555 on 1 procs for 138 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31115729 -2213.33737718 -2213.33738184
Force two-norm initial, final = 0.414533 0.00349266
Force max component initial, final = 0.0572001 0.000240964
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 138 138
Pair time (%) = 0.1221 (91.423)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0011425 (0.855455)
Outpt time (%) = 0.000879526 (0.65855)
Other time (%) = 0.00943303 (7.06303)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2438 0 -2213.3374 -2213.3374 -3383.381 3383.381
2439 7.9535617e-09 -2213.3374 -2213.3374 -3383.381 3383.381
Loop time of 0.00205779 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738184 -2213.33738184 -2213.33738184
Force two-norm initial, final = 0.00349266 0.00349266
Force max component initial, final = 0.000240964 0.000240964
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184989 (89.8969)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.718341)
Outpt time (%) = 0 (0)
Other time (%) = 0.000193119 (9.38478)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.2972 -2213.2972 -3390.057 3390.057
2260 0.012140032 -2213.2979 -2213.2979 -3389.9634 3389.9634
2270 0.09514099 -2213.303 -2213.303 -3388.676 3388.676
2280 0.28856038 -2213.3185 -2213.3185 -3382.2095 3382.2095
2290 0.051264396 -2213.3331 -2213.3331 -3383.0886 3383.0886
2300 0.015528944 -2213.3338 -2213.3338 -3383.2233 3383.2233
2310 0.00056162092 -2213.3359 -2213.3359 -3383.3211 3383.3211
2320 0.0016055529 -2213.3363 -2213.3363 -3383.3755 3383.3755
2330 0.0080920904 -2213.3367 -2213.3367 -3383.3001 3383.3001
2340 0.0018843787 -2213.3368 -2213.3368 -3383.42 3383.42
2350 0.00072336922 -2213.337 -2213.337 -3383.3981 3383.3981
2360 0.00013144678 -2213.3372 -2213.3372 -3383.342 3383.342
2370 6.9584721e-05 -2213.3372 -2213.3372 -3383.3998 3383.3998
2380 0.00073747144 -2213.3372 -2213.3372 -3383.3849 3383.3849
2389 0.0022308561 -2213.3374 -2213.3374 -3383.3872 3383.3872
Loop time of 0.133793 on 1 procs for 139 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29720275 -2213.33733872 -2213.33735458
Force two-norm initial, final = 0.394746 0.0078449
Force max component initial, final = 0.0477872 0.000555074
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 139 139
Pair time (%) = 0.122493 (91.5539)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00116658 (0.87193)
Outpt time (%) = 0.000859022 (0.642053)
Other time (%) = 0.00927472 (6.93214)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2389 0 -2213.3374 -2213.3374 -3383.4025 3383.4025
2390 4.0125747e-08 -2213.3374 -2213.3374 -3383.4025 3383.4025
Loop time of 0.00219393 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735458 -2213.33735458 -2213.33735458
Force two-norm initial, final = 0.0078449 0.0078449
Force max component initial, final = 0.000555074 0.000555074
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00198984 (90.6977)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.771571)
Outpt time (%) = 0 (0)
Other time (%) = 0.000187159 (8.53075)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2300 0 -2213.3262 -2213.3262 -3388.5422 3388.5422
2310 0.010076138 -2213.3268 -2213.3268 -3388.0745 3388.0745
2320 0.052057368 -2213.3296 -2213.3296 -3384.4622 3384.4622
2330 0.079834811 -2213.3329 -2213.3329 -3385.3655 3385.3655
2340 0.12731886 -2213.3357 -2213.3357 -3383.439 3383.439
2350 8.9247437e-05 -2213.3366 -2213.3366 -3383.4956 3383.4956
2360 0.0034168914 -2213.3368 -2213.3368 -3382.731 3382.731
2370 0.012475921 -2213.3373 -2213.3373 -3383.2562 3383.2562
2380 0.00092646035 -2213.3373 -2213.3373 -3383.2539 3383.2539
2390 7.1396928e-07 -2213.3374 -2213.3374 -3383.4183 3383.4183
2400 6.8389531e-05 -2213.3374 -2213.3374 -3383.4796 3383.4796
2409 0.00020280657 -2213.3374 -2213.3374 -3383.4072 3383.4072
Loop time of 0.105864 on 1 procs for 109 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3261892 -2213.3373836 -2213.33738458
Force two-norm initial, final = 0.36424 0.00307403
Force max component initial, final = 0.0427802 0.000263084
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 109 109
Pair time (%) = 0.0963602 (91.0226)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000890732 (0.841392)
Outpt time (%) = 0.000663042 (0.626315)
Other time (%) = 0.00795007 (7.5097)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2409 0 -2213.3374 -2213.3374 -3383.4086 3383.4086
2410 6.1611765e-09 -2213.3374 -2213.3374 -3383.4086 3383.4086
Loop time of 0.00221014 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738458 -2213.33738458 -2213.33738458
Force two-norm initial, final = 0.00307403 0.00307403
Force max component initial, final = 0.000263084 0.000263084
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00199008 (90.0431)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.776699)
Outpt time (%) = 0 (0)
Other time (%) = 0.000202894 (9.18015)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2350 0 -2213.3217 -2213.3217 -3387.0495 3387.0495
2360 0.0082433664 -2213.3222 -2213.3222 -3386.9198 3386.9198
2370 0.054484809 -2213.3252 -2213.3252 -3385.7355 3385.7355
2380 0.10472742 -2213.33 -2213.33 -3383.4323 3383.4323
2390 0.034481822 -2213.3334 -2213.3334 -3380.9345 3380.9345
2400 0.015778007 -2213.3365 -2213.3365 -3383.1399 3383.1399
2410 0.0032576566 -2213.3367 -2213.3367 -3382.9273 3382.9273
2420 0.0088534732 -2213.337 -2213.337 -3383.4952 3383.4952
2430 2.6162297e-05 -2213.3373 -2213.3373 -3383.7701 3383.7701
2440 6.5443717e-06 -2213.3373 -2213.3373 -3383.3665 3383.3665
2450 0.00014787732 -2213.3373 -2213.3373 -3383.4088 3383.4088
2460 0.0007300908 -2213.3374 -2213.3374 -3383.3734 3383.3734
Loop time of 0.107198 on 1 procs for 110 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3217006 -2213.33735271 -2213.33735747
Force two-norm initial, final = 0.326792 0.00602503
Force max component initial, final = 0.0748927 0.000524997
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 110 110
Pair time (%) = 0.0977612 (91.1968)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00092411 (0.862059)
Outpt time (%) = 0.00066638 (0.621635)
Other time (%) = 0.00784636 (7.3195)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2460 0 -2213.3374 -2213.3374 -3383.3784 3383.3784
2461 2.3668304e-08 -2213.3374 -2213.3374 -3383.3784 3383.3784
Loop time of 0.00205684 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735747 -2213.33735747 -2213.33735747
Force two-norm initial, final = 0.00602503 0.00602503
Force max component initial, final = 0.000524997 0.000524997
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (89.9965)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.834589)
Outpt time (%) = 0 (0)
Other time (%) = 0.000188589 (9.16889)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2300 0 -2213.317 -2213.317 -3387.4415 3387.4415
2310 0.011707248 -2213.3177 -2213.3177 -3387.2899 3387.2899
2320 0.055840245 -2213.3207 -2213.3207 -3385.89 3385.89
2330 0.074583905 -2213.3243 -2213.3243 -3383.9377 3383.9377
2340 0.00026320544 -2213.3286 -2213.3286 -3384.823 3384.823
2350 0.027951687 -2213.3297 -2213.3297 -3384.3038 3384.3038
2360 0.12026711 -2213.3346 -2213.3346 -3383.1559 3383.1559
2370 0.017625009 -2213.3357 -2213.3357 -3383.6634 3383.6634
2380 0.0049249503 -2213.3362 -2213.3362 -3383.8498 3383.8498
2390 0.00084811223 -2213.337 -2213.337 -3383.5073 3383.5073
2400 0.00026221293 -2213.3371 -2213.3371 -3383.4172 3383.4172
2410 0.0018792465 -2213.3372 -2213.3372 -3383.4209 3383.4209
2420 7.8988476e-06 -2213.3373 -2213.3373 -3383.4491 3383.4491
2425 0.00020104765 -2213.3373 -2213.3373 -3383.386 3383.386
Loop time of 0.120389 on 1 procs for 125 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31698788 -2213.33732308 -2213.3373246
Force two-norm initial, final = 0.394127 0.00996228
Force max component initial, final = 0.0413107 0.000746793
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 125 125
Pair time (%) = 0.110167 (91.5092)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00103188 (0.857118)
Outpt time (%) = 0.00079751 (0.662444)
Other time (%) = 0.00839257 (6.97121)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2425 0 -2213.3373 -2213.3373 -3383.3874 3383.3874
2426 6.3407615e-08 -2213.3373 -2213.3373 -3383.3874 3383.3874
Loop time of 0.00207186 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373246 -2213.3373246 -2213.3373246
Force two-norm initial, final = 0.00986158 0.00986158
Force max component initial, final = 0.000927887 0.000927887
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (89.3441)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.759494)
Outpt time (%) = 0 (0)
Other time (%) = 0.00020504 (9.89643)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2350 0 -2213.3187 -2213.3187 -3389.1399 3389.1399
2360 0.0092128323 -2213.3192 -2213.3192 -3388.8647 3388.8647
2370 0.062130073 -2213.3226 -2213.3226 -3386.3827 3386.3827
2380 0.15498301 -2213.3306 -2213.3306 -3383.8216 3383.8216
2390 0.043811441 -2213.3358 -2213.3358 -3382.4464 3382.4464
2400 0.0075929156 -2213.3362 -2213.3362 -3382.9261 3382.9261
2410 0.00056512159 -2213.3369 -2213.3369 -3383.4225 3383.4225
2420 0.0010533813 -2213.3371 -2213.3371 -3383.4267 3383.4267
2430 0.00016356395 -2213.3372 -2213.3372 -3383.4183 3383.4183
2440 0.00090449786 -2213.3372 -2213.3372 -3383.3805 3383.3805
2450 0.0036774493 -2213.3373 -2213.3373 -3383.3944 3383.3944
2460 0.00025243484 -2213.3374 -2213.3374 -3383.4074 3383.4074
2470 2.5185959e-05 -2213.3374 -2213.3374 -3383.4067 3383.4067
2478 9.9899669e-05 -2213.3374 -2213.3374 -3383.3995 3383.3995
Loop time of 0.125274 on 1 procs for 128 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31870587 -2213.33737417 -2213.33737529
Force two-norm initial, final = 0.34598 0.00491573
Force max component initial, final = 0.0441685 0.00045042
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 128 128
Pair time (%) = 0.113815 (90.8528)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00105596 (0.842916)
Outpt time (%) = 0.000806332 (0.643653)
Other time (%) = 0.00959682 (7.66066)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2478 0 -2213.3374 -2213.3374 -3383.4001 3383.4001
2479 1.5755257e-08 -2213.3374 -2213.3374 -3383.4001 3383.4001
Loop time of 0.00215912 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737529 -2213.33737529 -2213.33737529
Force two-norm initial, final = 0.00491573 0.00491573
Force max component initial, final = 0.00045042 0.00045042
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185513 (85.9209)
Neigh time (%) = 0 (0)
Comm time (%) = 1.97887e-05 (0.916519)
Outpt time (%) = 0 (0)
Other time (%) = 0.000284195 (13.1625)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2400 0 -2213.3173 -2213.3173 -3388.0169 3388.0169
2410 0.0072406022 -2213.3177 -2213.3177 -3387.8878 3387.8878
2420 0.051191207 -2213.3205 -2213.3205 -3386.5552 3386.5552
2430 0.14038813 -2213.3279 -2213.3279 -3382.9692 3382.9692
2440 0.041357208 -2213.3351 -2213.3351 -3382.537 3382.537
2450 0.010649753 -2213.3356 -2213.3356 -3383.3684 3383.3684
2460 0.00041550717 -2213.3368 -2213.3368 -3383.8451 3383.8451
2470 0.0008240386 -2213.337 -2213.337 -3383.3075 3383.3075
2480 0.00015462364 -2213.3371 -2213.3371 -3383.4617 3383.4617
2490 0.0010700424 -2213.3371 -2213.3371 -3383.3386 3383.3386
2500 0.0046202337 -2213.3373 -2213.3373 -3383.5775 3383.5775
2510 0.0001531599 -2213.3374 -2213.3374 -3383.4073 3383.4073
2520 3.5972584e-05 -2213.3374 -2213.3374 -3383.4193 3383.4193
2530 0.00026958727 -2213.3374 -2213.3374 -3383.4116 3383.4116
2533 0.00036491305 -2213.3374 -2213.3374 -3383.4021 3383.4021
Loop time of 0.134635 on 1 procs for 133 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31729211 -2213.3373712 -2213.33737422
Force two-norm initial, final = 0.305966 0.00449584
Force max component initial, final = 0.0386334 0.000329579
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 133 133
Pair time (%) = 0.119325 (88.6285)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00111794 (0.830352)
Outpt time (%) = 0.000966549 (0.717903)
Other time (%) = 0.0132256 (9.82327)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2533 0 -2213.3374 -2213.3374 -3383.4046 3383.4046
2534 1.3178618e-08 -2213.3374 -2213.3374 -3383.4046 3383.4046
Loop time of 0.00217414 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737422 -2213.33737422 -2213.33737422
Force two-norm initial, final = 0.00449584 0.00449584
Force max component initial, final = 0.000329579 0.000329579
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185418 (85.2835)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.690865)
Outpt time (%) = 0 (0)
Other time (%) = 0.000304937 (14.0257)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2350 0 -2213.3226 -2213.3226 -3382.5774 3382.5774
2360 0.009719941 -2213.3231 -2213.3231 -3382.6715 3382.6715
2370 0.049165036 -2213.3258 -2213.3258 -3383.5297 3383.5297
2380 0.089273742 -2213.3301 -2213.3301 -3383.8323 3383.8323
2390 0.00017314701 -2213.3334 -2213.3334 -3384.0887 3384.0887
2400 0.011267229 -2213.334 -2213.334 -3383.8091 3383.8091
2410 0.0018907772 -2213.3349 -2213.3349 -3383.5199 3383.5199
2420 0.017941733 -2213.3357 -2213.3357 -3383.503 3383.503
2430 0.0024520005 -2213.3366 -2213.3366 -3383.5403 3383.5403
2440 0.00069798543 -2213.3369 -2213.3369 -3383.4287 3383.4287
2450 0.00037056161 -2213.337 -2213.337 -3383.4369 3383.4369
2460 0.0025396404 -2213.3371 -2213.3371 -3383.4289 3383.4289
2470 0.00020703017 -2213.3373 -2213.3373 -3383.3749 3383.3749
2480 0.00024077675 -2213.3373 -2213.3373 -3383.3868 3383.3868
2483 0.00043238753 -2213.3373 -2213.3373 -3383.3887 3383.3887
Loop time of 0.131515 on 1 procs for 133 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32257223 -2213.33733171 -2213.33733642
Force two-norm initial, final = 0.358921 0.00980501
Force max component initial, final = 0.0317388 0.000573209
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 133 133
Pair time (%) = 0.117259 (89.16)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00107956 (0.820864)
Outpt time (%) = 0.000862122 (0.655531)
Other time (%) = 0.0123146 (9.36361)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2483 0 -2213.3373 -2213.3373 -3383.3917 3383.3917
2484 5.0220089e-08 -2213.3373 -2213.3373 -3383.3917 3383.3917
Loop time of 0.00212097 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733642 -2213.33733642 -2213.33733642
Force two-norm initial, final = 0.00877636 0.00877636
Force max component initial, final = 0.000656891 0.000656891
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185204 (87.3201)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.809353)
Outpt time (%) = 0 (0)
Other time (%) = 0.00025177 (11.8705)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2400 0 -2213.3232 -2213.3232 -3385.5242 3385.5242
2410 0.0087268536 -2213.3237 -2213.3237 -3385.3463 3385.3463
2420 0.039002987 -2213.3259 -2213.3259 -3383.9946 3383.9946
2430 0.060841501 -2213.3289 -2213.3289 -3384.7024 3384.7024
2440 0.00023984027 -2213.3319 -2213.3319 -3384.3107 3384.3107
2450 0.013807839 -2213.3328 -2213.3328 -3383.4838 3383.4838
2460 0.061400982 -2213.3356 -2213.3356 -3383.0042 3383.0042
2470 0.0099482258 -2213.3361 -2213.3361 -3383.5108 3383.5108
2480 0.002558855 -2213.3363 -2213.3363 -3383.5424 3383.5424
2490 0.0016121837 -2213.3369 -2213.3369 -3383.5104 3383.5104
2500 0.00033549727 -2213.337 -2213.337 -3383.4246 3383.4246
2510 0.0030077883 -2213.3372 -2213.3372 -3383.3912 3383.3912
2520 8.9752472e-06 -2213.3373 -2213.3373 -3383.408 3383.408
2530 0.00013496535 -2213.3374 -2213.3374 -3383.3916 3383.3916
2531 0.00017974777 -2213.3374 -2213.3374 -3383.3948 3383.3948
Loop time of 0.129196 on 1 procs for 131 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3232189 -2213.33735676 -2213.33735918
Force two-norm initial, final = 0.341134 0.00609395
Force max component initial, final = 0.0310607 0.00043826
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 131 131
Pair time (%) = 0.115891 (89.7014)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00107956 (0.835599)
Outpt time (%) = 0.000867844 (0.671727)
Other time (%) = 0.011358 (8.79132)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2531 0 -2213.3374 -2213.3374 -3383.3961 3383.3961
2532 2.4212858e-08 -2213.3374 -2213.3374 -3383.3961 3383.3961
Loop time of 0.00209808 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735918 -2213.33735918 -2213.33735918
Force two-norm initial, final = 0.00609395 0.00609395
Force max component initial, final = 0.00043826 0.00043826
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185204 (88.2727)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.795455)
Outpt time (%) = 0 (0)
Other time (%) = 0.000229359 (10.9318)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2450 0 -2213.3302 -2213.3302 -3385.3074 3385.3074
2460 0.0072932101 -2213.3306 -2213.3306 -3384.9905 3384.9905
2470 0.032087284 -2213.3323 -2213.3323 -3382.6918 3382.6918
2480 0.040244962 -2213.334 -2213.334 -3385.822 3385.822
2490 0.00010218073 -2213.3356 -2213.3356 -3384.3006 3384.3006
2500 0.004758092 -2213.3359 -2213.3359 -3383.2826 3383.2826
2510 0.00099642161 -2213.3364 -2213.3364 -3383.5768 3383.5768
2520 0.0059626352 -2213.3367 -2213.3367 -3383.5974 3383.5974
2530 7.2702119e-06 -2213.337 -2213.337 -3383.5076 3383.5076
2540 0.00064272944 -2213.3371 -2213.3371 -3383.4108 3383.4108
2550 0.0035881258 -2213.3373 -2213.3373 -3383.2738 3383.2738
2560 3.6583195e-05 -2213.3374 -2213.3374 -3383.3932 3383.3932
2562 6.4095841e-05 -2213.3374 -2213.3374 -3383.4005 3383.4005
Loop time of 0.111821 on 1 procs for 112 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3301757 -2213.33735196 -2213.33735263
Force two-norm initial, final = 0.311697 0.0065772
Force max component initial, final = 0.0264199 0.000376307
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 112 112
Pair time (%) = 0.0996451 (89.1113)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000926256 (0.828339)
Outpt time (%) = 0.00074625 (0.667362)
Other time (%) = 0.0105033 (9.39296)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2562 0 -2213.3374 -2213.3374 -3383.4009 3383.4009
2563 2.820533e-08 -2213.3374 -2213.3374 -3383.4009 3383.4009
Loop time of 0.00212097 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735263 -2213.33735263 -2213.33735263
Force two-norm initial, final = 0.0065772 0.0065772
Force max component initial, final = 0.000376307 0.000376307
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185013 (87.2302)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.708183)
Outpt time (%) = 0 (0)
Other time (%) = 0.000255823 (12.0616)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2400 0 -2212.7714 -2212.7714 -3607.3435 3607.3435
2410 0.084262747 -2212.7764 -2212.7764 -3604.4568 3604.4568
2420 0.41220785 -2212.7984 -2212.7984 -3578.1653 3578.1653
2430 0.36017034 -2212.8079 -2212.8079 -3559.2908 3559.2908
2440 0.00056153301 -2212.8192 -2212.8192 -3545.7241 3545.7241
2450 0.033850551 -2212.8213 -2212.8213 -3543.7782 3543.7782
2460 0.0005692425 -2212.8246 -2212.8246 -3548.7282 3548.7282
2470 0.021320959 -2212.8257 -2212.8257 -3543.8305 3543.8305
2480 0.0048649649 -2212.826 -2212.826 -3544.5852 3544.5852
2490 0.0041972963 -2212.8267 -2212.8267 -3541.812 3541.812
2500 0.00077028452 -2212.8268 -2212.8268 -3541.9967 3541.9967
2510 0.0047904231 -2212.8271 -2212.8271 -3540.7084 3540.7084
2520 2.0346934e-05 -2212.8272 -2212.8272 -3539.9036 3539.9036
2523 6.7912935e-05 -2212.8272 -2212.8272 -3539.8793 3539.8793
Loop time of 0.124336 on 1 procs for 123 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77141387 -2212.82722717 -2212.82722809
Force two-norm initial, final = 1.05449 0.00894312
Force max component initial, final = 0.227909 0.000873921
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 123 123
Pair time (%) = 0.112151 (90.1997)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00103092 (0.829142)
Outpt time (%) = 0.000798702 (0.642374)
Other time (%) = 0.0103557 (8.32881)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2523 0 -2212.8272 -2212.8272 -3539.8798 3539.8798
2524 5.2404299e-08 -2212.8272 -2212.8272 -3539.8798 3539.8798
Loop time of 0.00216508 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82722809 -2212.82722809 -2212.82722809
Force two-norm initial, final = 0.00896518 0.00896518
Force max component initial, final = 0.000960566 0.000960566
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192714 (89.01)
Neigh time (%) = 0 (0)
Comm time (%) = 1.54972e-05 (0.71578)
Outpt time (%) = 0 (0)
Other time (%) = 0.000222445 (10.2742)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2450 0 -2213.3114 -2213.3114 -3378.6899 3378.6899
2460 0.013544707 -2213.3122 -2213.3122 -3379.7206 3379.7206
2470 0.081953148 -2213.3165 -2213.3165 -3387.0417 3387.0417
2480 0.14023694 -2213.324 -2213.324 -3379.141 3379.141
2490 0.059226915 -2213.3321 -2213.3321 -3383.1609 3383.1609
2500 0.024797462 -2213.3328 -2213.3328 -3383.6664 3383.6664
2510 0.0057689507 -2213.3345 -2213.3345 -3383.6455 3383.6455
2520 0.0027943544 -2213.3349 -2213.3349 -3383.6552 3383.6552
2530 0.018298919 -2213.3357 -2213.3357 -3383.4479 3383.4479
2540 0.0049613095 -2213.337 -2213.337 -3383.5463 3383.5463
2550 0.0011013914 -2213.337 -2213.337 -3383.5818 3383.5818
2560 0.0038269052 -2213.3372 -2213.3372 -3383.2925 3383.2925
2570 8.5334393e-05 -2213.3373 -2213.3373 -3383.2879 3383.2879
2580 1.5896643e-05 -2213.3373 -2213.3373 -3383.4424 3383.4424
2590 0.00018812523 -2213.3373 -2213.3373 -3383.369 3383.369
2600 0.0010159958 -2213.3373 -2213.3373 -3383.3259 3383.3259
2610 1.9002247e-05 -2213.3374 -2213.3374 -3383.359 3383.359
2612 4.3788214e-05 -2213.3374 -2213.3374 -3383.3794 3383.3794
Loop time of 0.161646 on 1 procs for 162 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31138736 -2213.33737611 -2213.33737671
Force two-norm initial, final = 0.421133 0.00648118
Force max component initial, final = 0.0387149 0.00049571
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 162 162
Pair time (%) = 0.14439 (89.3249)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00133681 (0.827001)
Outpt time (%) = 0.00108886 (0.673607)
Other time (%) = 0.0148301 (9.17444)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2612 0 -2213.3374 -2213.3374 -3383.3797 3383.3797
2613 2.7387774e-08 -2213.3374 -2213.3374 -3383.3797 3383.3797
Loop time of 0.00220108 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737671 -2213.33737671 -2213.33737671
Force two-norm initial, final = 0.00648118 0.00648118
Force max component initial, final = 0.00049571 0.00049571
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00188112 (85.4636)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.671577)
Outpt time (%) = 0 (0)
Other time (%) = 0.000305176 (13.8648)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2500 0 -2213.3254 -2213.3254 -3382.3816 3382.3816
2510 0.0080409187 -2213.3259 -2213.3259 -3382.6255 3382.6255
2520 0.056163255 -2213.3289 -2213.3289 -3384.2621 3384.2621
2530 0.078740185 -2213.3328 -2213.3328 -3381.129 3381.129
2540 0.044006579 -2213.3358 -2213.3358 -3383.8954 3383.8954
2550 0.010693768 -2213.3362 -2213.3362 -3383.5384 3383.5384
2560 0.0058184453 -2213.3368 -2213.3368 -3383.4288 3383.4288
2570 0.00037581193 -2213.337 -2213.337 -3383.4169 3383.4169
2580 0.0030932155 -2213.3371 -2213.3371 -3383.5076 3383.5076
2590 0.00023431087 -2213.3373 -2213.3373 -3383.3482 3383.3482
2600 0.00011903232 -2213.3374 -2213.3374 -3383.386 3383.386
2610 0.00049033108 -2213.3374 -2213.3374 -3383.4099 3383.4099
2613 2.0889317e-05 -2213.3374 -2213.3374 -3383.4118 3383.4118
Loop time of 0.112168 on 1 procs for 113 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32539595 -2213.33737463 -2213.33737515
Force two-norm initial, final = 0.322769 0.0064337
Force max component initial, final = 0.0460983 0.000547067
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 113 113
Pair time (%) = 0.0998275 (88.9982)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000920057 (0.820249)
Outpt time (%) = 0.000734806 (0.655094)
Other time (%) = 0.0106857 (9.52649)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2613 0 -2213.3374 -2213.3374 -3383.412 3383.412
2614 2.6987999e-08 -2213.3374 -2213.3374 -3383.412 3383.412
Loop time of 0.00211811 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737515 -2213.33737515 -2213.33737515
Force two-norm initial, final = 0.0064337 0.0064337
Force max component initial, final = 0.000547067 0.000547067
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185227 (87.4493)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.742909)
Outpt time (%) = 0 (0)
Other time (%) = 0.000250101 (11.8077)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2550 0 -2213.3069 -2213.3069 -3386.2021 3386.2021
2560 0.0097273875 -2213.3074 -2213.3074 -3386.2054 3386.2054
2570 0.071362213 -2213.3113 -2213.3113 -3386.0836 3386.0836
2580 0.15578709 -2213.3201 -2213.3201 -3383.8496 3383.8496
2590 0.066694098 -2213.3306 -2213.3306 -3382.9525 3382.9525
2600 0.033824544 -2213.3321 -2213.3321 -3383.7134 3383.7134
2610 0.0024164234 -2213.3355 -2213.3355 -3384.3327 3384.3327
2620 0.0049394094 -2213.3366 -2213.3366 -3383.4753 3383.4753
2630 0.00079077426 -2213.3367 -2213.3367 -3383.665 3383.665
2640 0.0035651792 -2213.3369 -2213.3369 -3383.4246 3383.4246
2650 0.0013018622 -2213.3372 -2213.3372 -3383.3198 3383.3198
2660 0.00029799816 -2213.3372 -2213.3372 -3383.4162 3383.4162
2670 0.0010259437 -2213.3373 -2213.3373 -3383.4564 3383.4564
2680 1.2180608e-05 -2213.3373 -2213.3373 -3383.4266 3383.4266
2690 0.00015983225 -2213.3373 -2213.3373 -3383.3777 3383.3777
2700 1.2046214e-05 -2213.3374 -2213.3374 -3383.3908 3383.3908
2702 3.9564443e-05 -2213.3374 -2213.3374 -3383.3956 3383.3956
Loop time of 0.150417 on 1 procs for 152 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30686785 -2213.33736114 -2213.33736181
Force two-norm initial, final = 0.354406 0.00583972
Force max component initial, final = 0.0722103 0.000416236
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 152 152
Pair time (%) = 0.134596 (89.4818)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00127363 (0.846734)
Outpt time (%) = 0.0010016 (0.665879)
Other time (%) = 0.013546 (9.00562)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2702 0 -2213.3374 -2213.3374 -3383.3959 3383.3959
2703 2.2234748e-08 -2213.3374 -2213.3374 -3383.3959 3383.3959
Loop time of 0.002105 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736181 -2213.33736181 -2213.33736181
Force two-norm initial, final = 0.00583972 0.00583972
Force max component initial, final = 0.000416236 0.000416236
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (87.9375)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.815494)
Outpt time (%) = 0 (0)
Other time (%) = 0.00023675 (11.247)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.3201 -2213.3201 -3380.6613 3380.6613
2610 0.015072852 -2213.321 -2213.321 -3381.2867 3381.2867
2620 0.091672351 -2213.3259 -2213.3259 -3385.5434 3385.5434
2630 0.09906693 -2213.3303 -2213.3303 -3378.2827 3378.2827
2640 0.00020661816 -2213.3339 -2213.3339 -3381.8751 3381.8751
2650 0.011246228 -2213.3346 -2213.3346 -3384.2875 3384.2875
2660 0.0022145471 -2213.3355 -2213.3355 -3383.1855 3383.1855
2670 0.011875188 -2213.3361 -2213.3361 -3383.1323 3383.1323
2680 1.3895116e-05 -2213.3367 -2213.3367 -3383.4389 3383.4389
2690 0.0012620338 -2213.3368 -2213.3368 -3383.4206 3383.4206
2700 0.0064606637 -2213.3372 -2213.3372 -3383.3373 3383.3373
2710 5.4232876e-05 -2213.3373 -2213.3373 -3383.4019 3383.4019
2720 0.00039567207 -2213.3373 -2213.3373 -3383.4073 3383.4073
2728 6.2409572e-05 -2213.3374 -2213.3374 -3383.4018 3383.4018
Loop time of 0.127284 on 1 procs for 128 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32012973 -2213.33736163 -2213.3373625
Force two-norm initial, final = 0.444047 0.00568363
Force max component initial, final = 0.075512 0.000364974
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 128 128
Pair time (%) = 0.113297 (89.0115)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00106573 (0.837287)
Outpt time (%) = 0.000792742 (0.622814)
Other time (%) = 0.0121281 (9.5284)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2728 0 -2213.3374 -2213.3374 -3383.4022 3383.4022
2729 2.1062009e-08 -2213.3374 -2213.3374 -3383.4022 3383.4022
Loop time of 0.00212002 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373625 -2213.3373625 -2213.3373625
Force two-norm initial, final = 0.00568363 0.00568363
Force max component initial, final = 0.000364974 0.000364974
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185204 (87.3594)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.753486)
Outpt time (%) = 0 (0)
Other time (%) = 0.000252008 (11.8871)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2500 0 -2213.2701 -2213.2701 -3383.592 3383.592
2510 0.02038842 -2213.2713 -2213.2713 -3384.4778 3384.4778
2520 0.12787601 -2213.278 -2213.278 -3390.4847 3390.4847
2530 0.37276031 -2213.2982 -2213.2982 -3381.4506 3381.4506
2540 0.13656009 -2213.3275 -2213.3275 -3383.3667 3383.3667
2550 0.00011934292 -2213.3287 -2213.3287 -3383.6225 3383.6225
2560 0.018289732 -2213.3294 -2213.3294 -3383.9235 3383.9235
2570 0.10652052 -2213.3331 -2213.3331 -3382.1599 3382.1599
2580 3.5946812e-05 -2213.336 -2213.336 -3383.1656 3383.1656
2590 0.004784334 -2213.3363 -2213.3363 -3383.2481 3383.2481
2600 0.00020909653 -2213.3371 -2213.3371 -3383.5401 3383.5401
2610 0.00031569118 -2213.3372 -2213.3372 -3383.4389 3383.4389
2620 0.0018462591 -2213.3373 -2213.3373 -3383.3656 3383.3656
2630 5.8091847e-06 -2213.3373 -2213.3373 -3383.405 3383.405
2640 0.00020601683 -2213.3373 -2213.3373 -3383.3884 3383.3884
2643 0.00036386144 -2213.3373 -2213.3373 -3383.3965 3383.3965
Loop time of 0.141368 on 1 procs for 143 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27005608 -2213.33733829 -2213.33734215
Force two-norm initial, final = 0.516432 0.0089224
Force max component initial, final = 0.0654487 0.000737682
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 143 143
Pair time (%) = 0.126112 (89.2084)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00116992 (0.827571)
Outpt time (%) = 0.000937462 (0.663136)
Other time (%) = 0.0131485 (9.30094)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2643 0 -2213.3373 -2213.3373 -3383.399 3383.399
2644 5.1905402e-08 -2213.3373 -2213.3373 -3383.399 3383.399
Loop time of 0.00211096 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734215 -2213.33734215 -2213.33734215
Force two-norm initial, final = 0.0089224 0.0089224
Force max component initial, final = 0.000737682 0.000737682
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (87.6892)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.768014)
Outpt time (%) = 0 (0)
Other time (%) = 0.000243664 (11.5428)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2550 0 -2213.2772 -2213.2772 -3385.0665 3385.0665
2560 0.012505073 -2213.2779 -2213.2779 -3385.8731 3385.8731
2570 0.047073085 -2213.281 -2213.281 -3391.3455 3391.3455
2580 0.27048496 -2213.2937 -2213.2937 -3382.0993 3382.0993
2590 0.057443593 -2213.3263 -2213.3263 -3384.1613 3384.1613
2600 8.9541594e-05 -2213.3276 -2213.3276 -3383.3851 3383.3851
2610 0.012060539 -2213.3283 -2213.3283 -3383.9625 3383.9625
2620 0.072945843 -2213.3325 -2213.3325 -3382.7943 3382.7943
2630 2.3096057e-05 -2213.3365 -2213.3365 -3383.5693 3383.5693
2640 0.0025232363 -2213.3366 -2213.3366 -3383.5259 3383.5259
2650 0.010777014 -2213.3373 -2213.3373 -3383.2434 3383.2434
2660 0.0018682228 -2213.3373 -2213.3373 -3383.3558 3383.3558
2666 9.7869436e-06 -2213.3373 -2213.3373 -3383.366 3383.366
Loop time of 0.115468 on 1 procs for 116 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27716603 -2213.33734653 -2213.33734673
Force two-norm initial, final = 0.408845 0.00924446
Force max component initial, final = 0.0489707 0.000927521
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 116 116
Pair time (%) = 0.102834 (89.0588)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000957251 (0.829018)
Outpt time (%) = 0.000741243 (0.641947)
Other time (%) = 0.0109351 (9.47021)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2666 0 -2213.3373 -2213.3373 -3383.3661 3383.3661
2667 5.9360719e-08 -2213.3373 -2213.3373 -3383.3661 3383.3661
Loop time of 0.00212598 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734673 -2213.33734673 -2213.33734673
Force two-norm initial, final = 0.00954169 0.00954169
Force max component initial, final = 0.000841911 0.000841911
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185823 (87.4061)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.740159)
Outpt time (%) = 0 (0)
Other time (%) = 0.000252008 (11.8538)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.2775 -2213.2775 -3385.1912 3385.1912
2610 0.014520401 -2213.2783 -2213.2783 -3385.955 3385.955
2620 0.052237405 -2213.2817 -2213.2817 -3391.1052 3391.1052
2630 0.26861925 -2213.2944 -2213.2944 -3382.3152 3382.3152
2640 0.054814095 -2213.3263 -2213.3263 -3383.7034 3383.7034
2650 0.025492199 -2213.3278 -2213.3278 -3383.7105 3383.7105
2660 0.11530092 -2213.3348 -2213.3348 -3382.2734 3382.2734
2670 0.011667709 -2213.3366 -2213.3366 -3383.165 3383.165
2680 0.00029433164 -2213.3369 -2213.3369 -3383.496 3383.496
2690 0.0026229341 -2213.337 -2213.337 -3383.5158 3383.5158
2700 0.00018423721 -2213.3373 -2213.3373 -3383.314 3383.314
2709 0.00029776794 -2213.3374 -2213.3374 -3383.3414 3383.3414
Loop time of 0.109117 on 1 procs for 109 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.2774697 -2213.33735143 -2213.33735364
Force two-norm initial, final = 0.440986 0.00882786
Force max component initial, final = 0.0471765 0.00143113
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 109 109
Pair time (%) = 0.0972703 (89.1431)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000920057 (0.843184)
Outpt time (%) = 0.000689745 (0.632115)
Other time (%) = 0.010237 (9.38165)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2709 0 -2213.3374 -2213.3374 -3383.3435 3383.3435
2710 5.8062864e-08 -2213.3374 -2213.3374 -3383.3435 3383.3435
Loop time of 0.00225401 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735364 -2213.33735364 -2213.33735364
Force two-norm initial, final = 0.0094368 0.0094368
Force max component initial, final = 0.00112659 0.00112659
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00198698 (88.1532)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.751005)
Outpt time (%) = 0 (0)
Other time (%) = 0.000250101 (11.0958)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2550 0 -2213.2849 -2213.2849 -3387.6879 3387.6879
2560 0.013359465 -2213.2857 -2213.2857 -3387.7302 3387.7302
2570 0.092378209 -2213.2908 -2213.2908 -3387.8654 3387.8654
2580 0.19205631 -2213.3023 -2213.3023 -3386.0867 3386.0867
2590 0.173309 -2213.3225 -2213.3225 -3381.4387 3381.4387
2600 0.060931481 -2213.3263 -2213.3263 -3382.6512 3382.6512
2610 0.011784992 -2213.3318 -2213.3318 -3383.9489 3383.9489
2620 0.00048908426 -2213.3341 -2213.3341 -3383.9764 3383.9764
2630 0.00093469352 -2213.3347 -2213.3347 -3383.2537 3383.2537
2640 0.0094736239 -2213.3352 -2213.3352 -3383.6769 3383.6769
2650 0.00068182604 -2213.3366 -2213.3366 -3383.682 3383.682
2660 0.000548719 -2213.3367 -2213.3367 -3383.4471 3383.4471
2670 0.0049203748 -2213.337 -2213.337 -3383.3405 3383.3405
2680 0.0023302514 -2213.3373 -2213.3373 -3383.347 3383.347
2687 0.00063131131 -2213.3374 -2213.3374 -3383.406 3383.406
Loop time of 0.135641 on 1 procs for 137 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.2849412 -2213.33734802 -2213.3373513
Force two-norm initial, final = 0.416033 0.00690679
Force max component initial, final = 0.0620216 0.000565708
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 137 137
Pair time (%) = 0.120893 (89.1269)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00113225 (0.83474)
Outpt time (%) = 0.000872374 (0.643148)
Other time (%) = 0.0127437 (9.39517)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2687 0 -2213.3374 -2213.3374 -3383.4103 3383.4103
2688 3.7285989e-08 -2213.3374 -2213.3374 -3383.4103 3383.4103
Loop time of 0.00211406 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373513 -2213.3373513 -2213.3373513
Force two-norm initial, final = 0.0075622 0.0075622
Force max component initial, final = 0.000532548 0.000532548
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185394 (87.696)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.766888)
Outpt time (%) = 0 (0)
Other time (%) = 0.000243902 (11.5372)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.2798 -2213.2798 -3385.8668 3385.8668
2610 0.015260959 -2213.2807 -2213.2807 -3386.0518 3386.0518
2620 0.10709369 -2213.2865 -2213.2865 -3387.4671 3387.4671
2630 0.26301728 -2213.3006 -2213.3006 -3385.6728 3385.6728
2640 0.16557406 -2213.3287 -2213.3287 -3382.0461 3382.0461
2650 0.00018194523 -2213.3299 -2213.3299 -3383.5457 3383.5457
2660 0.018276724 -2213.3308 -2213.3308 -3384.3018 3384.3018
2670 0.070075393 -2213.3345 -2213.3345 -3382.829 3382.829
2680 0.00070513157 -2213.3358 -2213.3358 -3383.2533 3383.2533
2690 0.0059148731 -2213.3362 -2213.3362 -3383.7873 3383.7873
2700 0.0017041906 -2213.3365 -2213.3365 -3383.5682 3383.5682
2710 0.009646999 -2213.337 -2213.337 -3383.2742 3383.2742
2720 0.00010038225 -2213.3371 -2213.3371 -3383.3881 3383.3881
2730 0.0010545284 -2213.3372 -2213.3372 -3383.4451 3383.4451
2740 0.00015271631 -2213.3373 -2213.3373 -3383.4139 3383.4139
2750 9.5814116e-05 -2213.3373 -2213.3373 -3383.4099 3383.4099
2755 0.00027386592 -2213.3373 -2213.3373 -3383.409 3383.409
Loop time of 0.154319 on 1 procs for 155 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27981597 -2213.33731748 -2213.33732103
Force two-norm initial, final = 0.444171 0.00944786
Force max component initial, final = 0.0705218 0.000710178
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 155 155
Pair time (%) = 0.137495 (89.0978)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00127578 (0.826714)
Outpt time (%) = 0.000996351 (0.645644)
Other time (%) = 0.0145521 (9.42989)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2755 0 -2213.3373 -2213.3373 -3383.4109 3383.4109
2756 6.4270328e-08 -2213.3373 -2213.3373 -3383.4109 3383.4109
Loop time of 0.00212216 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33732103 -2213.33732103 -2213.33732103
Force two-norm initial, final = 0.00992844 0.00992844
Force max component initial, final = 0.00076555 0.00076555
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018549 (87.4059)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.752724)
Outpt time (%) = 0 (0)
Other time (%) = 0.000251293 (11.8414)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2650 0 -2213.2637 -2213.2637 -3388.6008 3388.6008
2660 0.02049497 -2213.2649 -2213.2649 -3388.4763 3388.4763
2670 0.16733842 -2213.2739 -2213.2739 -3387.4998 3387.4998
2680 0.44681175 -2213.2977 -2213.2977 -3386.6092 3386.6092
2690 0.087478983 -2213.3293 -2213.3293 -3382.0427 3382.0427
2700 0.034564823 -2213.3305 -2213.3305 -3382.7094 3382.7094
2710 0.0092188786 -2213.3322 -2213.3322 -3383.911 3383.911
2720 0.046493406 -2213.334 -2213.334 -3383.4016 3383.4016
2730 0.0006258936 -2213.3346 -2213.3346 -3382.9745 3382.9745
2740 0.0077929486 -2213.335 -2213.335 -3383.5181 3383.5181
2750 0.00025480116 -2213.3364 -2213.3364 -3383.7101 3383.7101
2760 0.00045699364 -2213.3365 -2213.3365 -3383.3739 3383.3739
2770 0.0042751329 -2213.3368 -2213.3368 -3383.3391 3383.3391
2780 0.0019544666 -2213.3373 -2213.3373 -3383.2179 3383.2179
2788 0.00099341827 -2213.3373 -2213.3373 -3383.4277 3383.4277
Loop time of 0.136842 on 1 procs for 138 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26367782 -2213.33733676 -2213.3373418
Force two-norm initial, final = 0.511854 0.00922539
Force max component initial, final = 0.0724105 0.000726471
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 138 138
Pair time (%) = 0.122147 (89.261)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0011375 (0.831247)
Outpt time (%) = 0.000866175 (0.632974)
Other time (%) = 0.0126917 (9.27474)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2788 0 -2213.3373 -2213.3373 -3383.4345 3383.4345
2789 5.549048e-08 -2213.3373 -2213.3373 -3383.4345 3383.4345
Loop time of 0.00211191 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373418 -2213.3373418 -2213.3373418
Force two-norm initial, final = 0.00922539 0.00922539
Force max component initial, final = 0.000726471 0.000726471
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (87.6496)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.812825)
Outpt time (%) = 0 (0)
Other time (%) = 0.000243664 (11.5376)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.3177 -2213.3177 -3386.0007 3386.0007
2610 0.010861643 -2213.3184 -2213.3184 -3385.9739 3385.9739
2620 0.071079545 -2213.3222 -2213.3222 -3385.4352 3385.4352
2630 0.14436819 -2213.3292 -2213.3292 -3382.6801 3382.6801
2640 0.026209174 -2213.3332 -2213.3332 -3382.9823 3382.9823
2650 0.010385035 -2213.3338 -2213.3338 -3384.0188 3384.0188
2660 0.04320305 -2213.3359 -2213.3359 -3382.9519 3382.9519
2670 0.001137608 -2213.3363 -2213.3363 -3383.3425 3383.3425
2680 0.00022212015 -2213.3364 -2213.3364 -3383.5703 3383.5703
2690 0.0022511364 -2213.3366 -2213.3366 -3383.43 3383.43
2700 0.0095686964 -2213.3371 -2213.3371 -3383.2172 3383.2172
2710 0.0002252457 -2213.3373 -2213.3373 -3383.3875 3383.3875
2720 3.3267174e-05 -2213.3373 -2213.3373 -3383.402 3383.402
2730 0.00029799373 -2213.3373 -2213.3373 -3383.3953 3383.3953
Loop time of 0.130639 on 1 procs for 130 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3177199 -2213.33732547 -2213.33732895
Force two-norm initial, final = 0.375719 0.00885734
Force max component initial, final = 0.0342533 0.000773689
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 130 130
Pair time (%) = 0.116502 (89.1789)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00109959 (0.8417)
Outpt time (%) = 0.000802994 (0.614667)
Other time (%) = 0.012234 (9.36473)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2730 0 -2213.3373 -2213.3373 -3383.3973 3383.3973
2731 5.115118e-08 -2213.3373 -2213.3373 -3383.3973 3383.3973
Loop time of 0.00214005 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33732895 -2213.33732895 -2213.33732895
Force two-norm initial, final = 0.00885734 0.00885734
Force max component initial, final = 0.000773689 0.000773689
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00188303 (87.9902)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.779857)
Outpt time (%) = 0 (0)
Other time (%) = 0.000240326 (11.2299)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2650 0 -2213.3077 -2213.3077 -3387.5487 3387.5487
2660 0.0087759369 -2213.3082 -2213.3082 -3387.4011 3387.4011
2670 0.064221453 -2213.3118 -2213.3118 -3386.1475 3386.1475
2680 0.19670666 -2213.3225 -2213.3225 -3384.2595 3384.2595
2690 0.070583512 -2213.3318 -2213.3318 -3382.4725 3382.4725
2700 0.00010871007 -2213.3329 -2213.3329 -3383.8538 3383.8538
2710 0.012591071 -2213.3334 -2213.3334 -3383.2923 3383.2923
2720 0.061939538 -2213.3358 -2213.3358 -3383.342 3383.342
2730 0.00015969846 -2213.3367 -2213.3367 -3383.5474 3383.5474
2740 0.0027317599 -2213.3369 -2213.3369 -3383.3691 3383.3691
2750 0.0067589297 -2213.3372 -2213.3372 -3383.244 3383.244
2760 0.00052156744 -2213.3372 -2213.3372 -3383.391 3383.391
2770 0.00018808926 -2213.3373 -2213.3373 -3383.4285 3383.4285
2780 0.0011959567 -2213.3373 -2213.3373 -3383.3897 3383.3897
2789 6.7544088e-05 -2213.3374 -2213.3374 -3383.3769 3383.3769
Loop time of 0.139724 on 1 procs for 139 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30772745 -2213.33736705 -2213.33736816
Force two-norm initial, final = 0.336764 0.00826101
Force max component initial, final = 0.0474719 0.000693722
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 139 139
Pair time (%) = 0.124283 (88.9491)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00116706 (0.83526)
Outpt time (%) = 0.000936031 (0.669914)
Other time (%) = 0.0133376 (9.54568)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2789 0 -2213.3374 -2213.3374 -3383.3774 3383.3774
2790 4.4495394e-08 -2213.3374 -2213.3374 -3383.3774 3383.3774
Loop time of 0.00236702 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736816 -2213.33736816 -2213.33736816
Force two-norm initial, final = 0.00826101 0.00826101
Force max component initial, final = 0.000693722 0.000693722
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00205302 (86.7345)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.715149)
Outpt time (%) = 0 (0)
Other time (%) = 0.00029707 (12.5504)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2700 0 -2213.3206 -2213.3206 -3386.1459 3386.1459
2710 0.0076675566 -2213.321 -2213.321 -3386.0078 3386.0078
2720 0.058570814 -2213.3242 -2213.3242 -3384.7801 3384.7801
2730 0.15469911 -2213.332 -2213.332 -3382.6995 3382.6995
2740 0.018323858 -2213.3344 -2213.3344 -3383.7144 3383.7144
2750 0.0020779771 -2213.3356 -2213.3356 -3384.7073 3384.7073
2760 0.0052108944 -2213.3366 -2213.3366 -3383.2462 3383.2462
2770 0.00069614794 -2213.3367 -2213.3367 -3383.6152 3383.6152
2780 0.0041654629 -2213.3369 -2213.3369 -3383.4372 3383.4372
2790 0.00060913104 -2213.3372 -2213.3372 -3384.2025 3384.2025
2800 0.0010246991 -2213.3373 -2213.3373 -3383.4843 3383.4843
2810 0.00013595707 -2213.3373 -2213.3373 -3383.4038 3383.4038
2820 0.00045392152 -2213.3374 -2213.3374 -3383.4715 3383.4715
2822 0.00056112883 -2213.3374 -2213.3374 -3383.4328 3383.4328
Loop time of 0.124903 on 1 procs for 122 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32058956 -2213.3373661 -2213.33737073
Force two-norm initial, final = 0.314004 0.00586181
Force max component initial, final = 0.0414024 0.000448675
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 122 122
Pair time (%) = 0.10973 (87.8524)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00102115 (0.817552)
Outpt time (%) = 0.000826359 (0.661601)
Other time (%) = 0.0133252 (10.6685)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2822 0 -2213.3374 -2213.3374 -3383.4367 3383.4367
2823 2.2403307e-08 -2213.3374 -2213.3374 -3383.4367 3383.4367
Loop time of 0.00220704 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737073 -2213.33737073 -2213.33737073
Force two-norm initial, final = 0.00586181 0.00586181
Force max component initial, final = 0.000448675 0.000448675
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018878 (85.5353)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.821)
Outpt time (%) = 0 (0)
Other time (%) = 0.000301123 (13.6437)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2650 0 -2213.308 -2213.308 -3385.8675 3385.8675
2660 0.0078143701 -2213.3085 -2213.3085 -3385.9073 3385.9073
2670 0.049866565 -2213.3112 -2213.3112 -3385.9843 3385.9843
2680 0.089723733 -2213.3166 -2213.3166 -3384.158 3384.158
2690 0.067518007 -2213.3289 -2213.3289 -3384.2172 3384.2172
2700 0.032135468 -2213.3305 -2213.3305 -3383.6583 3383.6583
2710 0.0015041451 -2213.3351 -2213.3351 -3382.9912 3382.9912
2720 0.0040220623 -2213.3358 -2213.3358 -3383.4133 3383.4133
2730 0.0010239151 -2213.336 -2213.336 -3383.2972 3383.2972
2740 0.0081004321 -2213.3364 -2213.3364 -3383.2741 3383.2741
2750 0.01918673 -2213.337 -2213.337 -3383.0779 3383.0779
2760 0.0013535026 -2213.3373 -2213.3373 -3383.3776 3383.3776
2770 0.00017498034 -2213.3373 -2213.3373 -3383.3738 3383.3738
2780 0.00095747081 -2213.3373 -2213.3373 -3383.3644 3383.3644
2783 0.0011981269 -2213.3374 -2213.3374 -3383.3678 3383.3678
Loop time of 0.133418 on 1 procs for 133 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30802726 -2213.33734134 -2213.33735129
Force two-norm initial, final = 0.318716 0.00911827
Force max component initial, final = 0.033195 0.000788462
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 133 133
Pair time (%) = 0.118213 (88.6032)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00110245 (0.82631)
Outpt time (%) = 0.000874281 (0.655294)
Other time (%) = 0.0132287 (9.91519)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2783 0 -2213.3374 -2213.3374 -3383.3761 3383.3761
2784 5.4209251e-08 -2213.3374 -2213.3374 -3383.3761 3383.3761
Loop time of 0.00211287 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735129 -2213.33735129 -2213.33735129
Force two-norm initial, final = 0.00911827 0.00911827
Force max component initial, final = 0.000788462 0.000788462
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00186181 (88.1178)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.801174)
Outpt time (%) = 0 (0)
Other time (%) = 0.000234127 (11.081)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2700 0 -2213.3147 -2213.3147 -3386.8998 3386.8998
2710 0.024452019 -2213.3161 -2213.3161 -3386.4698 3386.4698
2720 0.11141346 -2213.3219 -2213.3219 -3383.1943 3383.1943
2730 0.096977009 -2213.3253 -2213.3253 -3386.5815 3386.5815
2740 0.0003437836 -2213.33 -2213.33 -3385.5487 3385.5487
2750 0.021908136 -2213.3313 -2213.3313 -3383.6615 3383.6615
2760 0.079026385 -2213.3351 -2213.3351 -3382.8129 3382.8129
2770 0.0030209191 -2213.3356 -2213.3356 -3383.9145 3383.9145
2780 0.0004952338 -2213.3359 -2213.3359 -3383.3029 3383.3029
2790 0.0040560713 -2213.3361 -2213.3361 -3383.6215 3383.6215
2800 0.014371857 -2213.3369 -2213.3369 -3383.7499 3383.7499
2810 0.00027736302 -2213.3373 -2213.3373 -3383.4798 3383.4798
2820 4.3813937e-05 -2213.3373 -2213.3373 -3383.3939 3383.3939
2830 0.00042603293 -2213.3373 -2213.3373 -3383.412 3383.412
2840 0.0012993364 -2213.3374 -2213.3374 -3383.2912 3383.2912
2850 6.4717379e-05 -2213.3374 -2213.3374 -3383.3914 3383.3914
Loop time of 0.148471 on 1 procs for 150 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31466642 -2213.33738176 -2213.33738219
Force two-norm initial, final = 0.570037 0.0035375
Force max component initial, final = 0.0583265 0.000290744
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 150 150
Pair time (%) = 0.132918 (89.5246)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00122547 (0.825394)
Outpt time (%) = 0.00093174 (0.627556)
Other time (%) = 0.0133958 (9.02249)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2850 0 -2213.3374 -2213.3374 -3383.3919 3383.3919
2851 8.1591086e-09 -2213.3374 -2213.3374 -3383.3919 3383.3919
Loop time of 0.00210905 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738219 -2213.33738219 -2213.33738219
Force two-norm initial, final = 0.0035375 0.0035375
Force max component initial, final = 0.000290744 0.000290744
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184894 (87.6667)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.802623)
Outpt time (%) = 0 (0)
Other time (%) = 0.000243187 (11.5306)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2750 0 -2213.3215 -2213.3215 -3386.912 3386.912
2760 0.0090448713 -2213.322 -2213.322 -3386.7703 3386.7703
2770 0.063241544 -2213.3254 -2213.3254 -3385.505 3385.505
2780 0.12305227 -2213.3316 -2213.3316 -3384.1906 3384.1906
2790 0.026617838 -2213.3343 -2213.3343 -3383.8892 3383.8892
2800 0.017154265 -2213.3357 -2213.3357 -3383.1863 3383.1863
2810 0.0046824274 -2213.336 -2213.336 -3383.5683 3383.5683
2820 0.010046144 -2213.3364 -2213.3364 -3383.4436 3383.4436
2830 4.262037e-05 -2213.3369 -2213.3369 -3383.3182 3383.3182
2840 1.4613193e-05 -2213.337 -2213.337 -3383.4755 3383.4755
2850 0.00046703646 -2213.337 -2213.337 -3383.419 3383.419
2860 0.002751147 -2213.3372 -2213.3372 -3383.4158 3383.4158
2870 6.4699486e-06 -2213.3373 -2213.3373 -3383.3467 3383.3467
2880 6.002979e-06 -2213.3374 -2213.3374 -3383.4178 3383.4178
2890 6.4304935e-05 -2213.3374 -2213.3374 -3383.3818 3383.3818
2899 0.00031714063 -2213.3374 -2213.3374 -3383.3919 3383.3919
Loop time of 0.153258 on 1 procs for 149 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32149442 -2213.33737097 -2213.3373743
Force two-norm initial, final = 0.342125 0.0043631
Force max component initial, final = 0.0320872 0.000308689
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 149 149
Pair time (%) = 0.134584 (87.8155)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00125337 (0.817816)
Outpt time (%) = 0.000946283 (0.617445)
Other time (%) = 0.016474 (10.7492)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2899 0 -2213.3374 -2213.3374 -3383.3941 3383.3941
2900 1.2411912e-08 -2213.3374 -2213.3374 -3383.3941 3383.3941
Loop time of 0.00244904 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373743 -2213.3373743 -2213.3373743
Force two-norm initial, final = 0.0043631 0.0043631
Force max component initial, final = 0.000308689 0.000308689
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00205278 (83.8201)
Neigh time (%) = 0 (0)
Comm time (%) = 1.90735e-05 (0.778816)
Outpt time (%) = 0 (0)
Other time (%) = 0.000377178 (15.4011)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2700 0 -2213.3063 -2213.3063 -3380.2867 3380.2867
2710 0.0088368486 -2213.3068 -2213.3068 -3381.2178 3381.2178
2720 0.042316096 -2213.3092 -2213.3092 -3387.6598 3387.6598
2730 0.10593669 -2213.3153 -2213.3153 -3380.3197 3380.3197
2740 0.08595924 -2213.3295 -2213.3295 -3382.7267 3382.7267
2750 0.00010452095 -2213.3305 -2213.3305 -3384.6909 3384.6909
2760 0.012487739 -2213.3311 -2213.3311 -3383.8487 3383.8487
2770 0.071352648 -2213.3339 -2213.3339 -3383.7646 3383.7646
2780 4.6318341e-05 -2213.3366 -2213.3366 -3383.5745 3383.5745
2790 0.0035228241 -2213.3369 -2213.3369 -3383.0652 3383.0652
2800 0.00044170895 -2213.3372 -2213.3372 -3383.3169 3383.3169
2810 0.00029901973 -2213.3372 -2213.3372 -3383.3928 3383.3928
2820 0.0010835431 -2213.3373 -2213.3373 -3383.4303 3383.4303
2828 0.00069661529 -2213.3374 -2213.3374 -3383.3885 3383.3885
Loop time of 0.128532 on 1 procs for 128 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30631381 -2213.33734385 -2213.33735078
Force two-norm initial, final = 0.342471 0.00854267
Force max component initial, final = 0.040372 0.000930986
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 128 128
Pair time (%) = 0.115014 (89.4829)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00105429 (0.820253)
Outpt time (%) = 0.000802994 (0.624743)
Other time (%) = 0.0116606 (9.07212)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2828 0 -2213.3374 -2213.3374 -3383.3932 3383.3932
2829 4.7581263e-08 -2213.3374 -2213.3374 -3383.3932 3383.3932
Loop time of 0.00213695 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735078 -2213.33735078 -2213.33735078
Force two-norm initial, final = 0.00854267 0.00854267
Force max component initial, final = 0.000930986 0.000930986
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00188327 (88.129)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.792145)
Outpt time (%) = 0 (0)
Other time (%) = 0.00023675 (11.0789)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2750 0 -2213.3188 -2213.3188 -3381.3338 3381.3338
2760 0.015385745 -2213.3197 -2213.3197 -3381.7178 3381.7178
2770 0.083036557 -2213.3242 -2213.3242 -3384.4224 3384.4224
2780 0.10489992 -2213.3291 -2213.3291 -3380.9523 3380.9523
2790 0.27528422 -2213.3355 -2213.3355 -3380.1805 3380.1805
2800 0.00026854858 -2213.3364 -2213.3364 -3383.0859 3383.0859
2810 0.0062261766 -2213.3367 -2213.3367 -3383.5794 3383.5794
2820 0.0005331104 -2213.337 -2213.337 -3383.324 3383.324
2830 0.0033110731 -2213.3372 -2213.3372 -3383.488 3383.488
2840 0.0049509444 -2213.3373 -2213.3373 -3383.3461 3383.3461
2850 0.00016579283 -2213.3373 -2213.3373 -3383.4007 3383.4007
2860 0.00081320324 -2213.3374 -2213.3374 -3383.4143 3383.4143
2865 6.6286704e-05 -2213.3374 -2213.3374 -3383.3866 3383.3866
Loop time of 0.116173 on 1 procs for 115 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31881511 -2213.33737737 -2213.33737859
Force two-norm initial, final = 0.450375 0.00510291
Force max component initial, final = 0.0680517 0.00037245
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 115 115
Pair time (%) = 0.103016 (88.6743)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0010159 (0.874473)
Outpt time (%) = 0.000755072 (0.649954)
Other time (%) = 0.0113864 (9.80124)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2865 0 -2213.3374 -2213.3374 -3383.387 3383.387
2866 1.6977924e-08 -2213.3374 -2213.3374 -3383.387 3383.387
Loop time of 0.00214791 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737859 -2213.33737859 -2213.33737859
Force two-norm initial, final = 0.00510291 0.00510291
Force max component initial, final = 0.00037245 0.00037245
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00188613 (87.8122)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.843601)
Outpt time (%) = 0 (0)
Other time (%) = 0.000243664 (11.3442)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2800 0 -2213.3265 -2213.3265 -3383.9423 3383.9423
2810 0.0038666193 -2213.3267 -2213.3267 -3384.0119 3384.0119
2820 0.024411212 -2213.328 -2213.328 -3384.5149 3384.5149
2830 0.075038714 -2213.3321 -2213.3321 -3383.7026 3383.7026
2840 0.052432276 -2213.3357 -2213.3357 -3382.9584 3382.9584
2850 0.0081148909 -2213.3361 -2213.3361 -3382.9998 3382.9998
2860 0.003358883 -2213.3367 -2213.3367 -3383.314 3383.314
2870 0.00084996147 -2213.3368 -2213.3368 -3383.2727 3383.2727
2880 0.0046399998 -2213.337 -2213.337 -3383.2403 3383.2403
2890 0.0034611952 -2213.3372 -2213.3372 -3383.3453 3383.3453
2900 2.0611799e-06 -2213.3374 -2213.3374 -3383.4336 3383.4336
2910 0.00012121161 -2213.3374 -2213.3374 -3383.4439 3383.4439
2920 0.00017750087 -2213.3374 -2213.3374 -3383.3902 3383.3902
2926 1.8127606e-05 -2213.3374 -2213.3374 -3383.3982 3383.3982
Loop time of 0.127389 on 1 procs for 126 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32645331 -2213.33737542 -2213.33737575
Force two-norm initial, final = 0.225119 0.00429468
Force max component initial, final = 0.0338453 0.000300301
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 126 126
Pair time (%) = 0.113448 (89.056)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00104737 (0.822183)
Outpt time (%) = 0.000815868 (0.640453)
Other time (%) = 0.0120783 (9.4814)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2926 0 -2213.3374 -2213.3374 -3383.3984 3383.3984
2927 1.2025682e-08 -2213.3374 -2213.3374 -3383.3984 3383.3984
Loop time of 0.00223994 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737575 -2213.33737575 -2213.33737575
Force two-norm initial, final = 0.00429468 0.00429468
Force max component initial, final = 0.000300301 0.000300301
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.001858 (82.9484)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.713145)
Outpt time (%) = 0 (0)
Other time (%) = 0.000365973 (16.3385)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2750 0 -2213.326 -2213.326 -3379.4056 3379.4056
2760 0.0095934733 -2213.3266 -2213.3266 -3380.19 3380.19
2770 0.053251595 -2213.3293 -2213.3293 -3385.6813 3385.6813
2780 0.049331578 -2213.3312 -2213.3312 -3379.133 3379.133
2790 0.084434843 -2213.3346 -2213.3346 -3381.7359 3381.7359
2800 0.015208355 -2213.3351 -2213.3351 -3385.3889 3385.3889
2810 0.0059378688 -2213.3353 -2213.3353 -3383.0995 3383.0995
2820 0.024743218 -2213.3362 -2213.3362 -3385.051 3385.051
2830 0.024407531 -2213.337 -2213.337 -3380.8679 3380.8679
2840 7.7941307e-05 -2213.3371 -2213.3371 -3383.8597 3383.8597
2850 0.00074973149 -2213.3372 -2213.3372 -3382.9564 3382.9564
2860 0.00016690459 -2213.3373 -2213.3373 -3383.5446 3383.5446
2870 5.8807538e-05 -2213.3373 -2213.3373 -3383.2482 3383.2482
2880 0.00045735026 -2213.3373 -2213.3373 -3383.4213 3383.4213
2890 0.001552845 -2213.3374 -2213.3374 -3383.207 3383.207
2893 0.0004260088 -2213.3374 -2213.3374 -3383.3665 3383.3665
Loop time of 0.142276 on 1 procs for 143 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32604606 -2213.33737834 -2213.33738515
Force two-norm initial, final = 0.354814 0.00639399
Force max component initial, final = 0.0524354 0.000469646
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 143 143
Pair time (%) = 0.126623 (88.9984)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0012033 (0.845749)
Outpt time (%) = 0.000965357 (0.67851)
Other time (%) = 0.013484 (9.47735)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2893 0 -2213.3374 -2213.3374 -3383.3695 3383.3695
2894 2.6655884e-08 -2213.3374 -2213.3374 -3383.3695 3383.3695
Loop time of 0.00211096 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738515 -2213.33738515 -2213.33738515
Force two-norm initial, final = 0.00639399 0.00639399
Force max component initial, final = 0.000469646 0.000469646
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00186396 (88.2991)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.813192)
Outpt time (%) = 0 (0)
Other time (%) = 0.000229836 (10.8877)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2800 0 -2213.3309 -2213.3309 -3376.282 3376.282
2810 0.0089516982 -2213.3314 -2213.3314 -3377.4404 3377.4404
2820 0.041024939 -2213.3336 -2213.3336 -3385.7179 3385.7179
2830 0.032153419 -2213.3345 -2213.3345 -3378.3523 3378.3523
2840 0.091810273 -2213.3365 -2213.3365 -3382.1353 3382.1353
2850 1.4808962e-05 -2213.3367 -2213.3367 -3383.7725 3383.7725
2860 0.0018440053 -2213.3368 -2213.3368 -3383.286 3383.286
2870 0.0078019055 -2213.3372 -2213.3372 -3383.7264 3383.7264
2880 4.3434582e-06 -2213.3374 -2213.3374 -3383.4058 3383.4058
2890 0.00021736547 -2213.3374 -2213.3374 -3383.4131 3383.4131
2900 0.00012475444 -2213.3374 -2213.3374 -3383.4328 3383.4328
2910 8.8797897e-05 -2213.3374 -2213.3374 -3383.4017 3383.4017
2920 1.7942239e-05 -2213.3374 -2213.3374 -3383.4066 3383.4066
2930 8.6275108e-05 -2213.3374 -2213.3374 -3383.3989 3383.3989
Loop time of 0.129512 on 1 procs for 130 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33085902 -2213.33738047 -2213.33738119
Force two-norm initial, final = 0.344359 0.00359395
Force max component initial, final = 0.0408438 0.000274262
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 130 130
Pair time (%) = 0.115192 (88.9432)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00106525 (0.822515)
Outpt time (%) = 0.000802994 (0.620016)
Other time (%) = 0.0124516 (9.61429)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2930 0 -2213.3374 -2213.3374 -3383.3995 3383.3995
2931 8.4215758e-09 -2213.3374 -2213.3374 -3383.3995 3383.3995
Loop time of 0.00212312 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738119 -2213.33738119 -2213.33738119
Force two-norm initial, final = 0.00359395 0.00359395
Force max component initial, final = 0.000274262 0.000274262
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185013 (87.1421)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.763616)
Outpt time (%) = 0 (0)
Other time (%) = 0.000256777 (12.0943)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2850 0 -2213.3314 -2213.3314 -3377.9364 3377.9364
2860 0.010802937 -2213.332 -2213.332 -3378.7594 3378.7594
2870 0.045407585 -2213.3344 -2213.3344 -3384.6346 3384.6346
2880 0.03875809 -2213.3355 -2213.3355 -3378.8442 3378.8442
2890 0.0001139941 -2213.3365 -2213.3365 -3381.8353 3381.8353
2900 0.004020829 -2213.3368 -2213.3368 -3384.1741 3384.1741
2910 0.014937485 -2213.3371 -2213.3371 -3382.9348 3382.9348
2920 0.0019843292 -2213.3372 -2213.3372 -3383.6304 3383.6304
2930 0.0020687131 -2213.3373 -2213.3373 -3383.3831 3383.3831
2940 0.00027661079 -2213.3373 -2213.3373 -3383.3994 3383.3994
2950 0.0012334216 -2213.3373 -2213.3373 -3383.4697 3383.4697
2960 1.8033501e-05 -2213.3374 -2213.3374 -3383.4041 3383.4041
2970 0.00012835711 -2213.3374 -2213.3374 -3383.3924 3383.3924
2980 1.0547633e-05 -2213.3374 -2213.3374 -3383.4316 3383.4316
2982 8.2766712e-05 -2213.3374 -2213.3374 -3383.4064 3383.4064
Loop time of 0.131933 on 1 procs for 132 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33141196 -2213.33738704 -2213.33738849
Force two-norm initial, final = 0.379298 0.00398278
Force max component initial, final = 0.0400555 0.000416268
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 132 132
Pair time (%) = 0.117345 (88.9426)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00106859 (0.809951)
Outpt time (%) = 0.000873089 (0.661767)
Other time (%) = 0.0126467 (9.58568)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2982 0 -2213.3374 -2213.3374 -3383.4069 3383.4069
2983 1.034242e-08 -2213.3374 -2213.3374 -3383.4069 3383.4069
Loop time of 0.00209188 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738849 -2213.33738849 -2213.33738849
Force two-norm initial, final = 0.00398278 0.00398278
Force max component initial, final = 0.000416268 0.000416268
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185204 (88.5343)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.820606)
Outpt time (%) = 0 (0)
Other time (%) = 0.000222683 (10.6451)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2800 0 -2213.3216 -2213.3216 -3391.2557 3391.2557
2810 0.0073839053 -2213.3221 -2213.3221 -3390.4339 3390.4339
2820 0.041211714 -2213.3243 -2213.3243 -3383.9396 3383.9396
2830 0.052450927 -2213.3269 -2213.3269 -3388.152 3388.152
2840 0.06513199 -2213.333 -2213.333 -3383.6186 3383.6186
2850 0.018447578 -2213.3336 -2213.3336 -3381.2805 3381.2805
2860 0.00968057 -2213.3339 -2213.3339 -3383.6958 3383.6958
2870 0.044136215 -2213.3353 -2213.3353 -3381.0092 3381.0092
2880 0.00028551493 -2213.3362 -2213.3362 -3382.7953 3382.7953
2890 0.0041447895 -2213.3365 -2213.3365 -3383.9971 3383.9971
2900 0.0010637943 -2213.3368 -2213.3368 -3383.4121 3383.4121
2910 0.0045863965 -2213.3371 -2213.3371 -3383.0799 3383.0799
2920 5.0252347e-05 -2213.3372 -2213.3372 -3383.3606 3383.3606
2930 0.00053174471 -2213.3372 -2213.3372 -3383.4367 3383.4367
2940 0.00012492492 -2213.3373 -2213.3373 -3383.4255 3383.4255
2941 0.00018499419 -2213.3373 -2213.3373 -3383.4045 3383.4045
Loop time of 0.139281 on 1 procs for 141 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32163339 -2213.33733481 -2213.33733736
Force two-norm initial, final = 0.311225 0.00878206
Force max component initial, final = 0.0327305 0.000714906
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 141 141
Pair time (%) = 0.124426 (89.3348)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00115204 (0.827132)
Outpt time (%) = 0.000934124 (0.670676)
Other time (%) = 0.0127685 (9.16744)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2941 0 -2213.3373 -2213.3373 -3383.4057 3383.4057
2942 5.0285369e-08 -2213.3373 -2213.3373 -3383.4057 3383.4057
Loop time of 0.00212312 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733736 -2213.33733736 -2213.33733736
Force two-norm initial, final = 0.00878206 0.00878206
Force max component initial, final = 0.000714906 0.000714906
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018611 (87.6586)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.808535)
Outpt time (%) = 0 (0)
Other time (%) = 0.000244856 (11.5328)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2850 0 -2213.3282 -2213.3282 -3385.0498 3385.0498
2860 0.004619007 -2213.3285 -2213.3285 -3384.9802 3384.9802
2870 0.029673029 -2213.3301 -2213.3301 -3384.411 3384.411
2880 0.034732258 -2213.3317 -2213.3317 -3383.8943 3383.8943
2890 0.016247715 -2213.3357 -2213.3357 -3382.8341 3382.8341
2900 0.0052992129 -2213.3368 -2213.3368 -3383.2509 3383.2509
2910 0.00097659 -2213.3371 -2213.3371 -3383.2993 3383.2993
2920 2.5138529e-05 -2213.3372 -2213.3372 -3383.1812 3383.1812
2930 0.0013049826 -2213.3373 -2213.3373 -3383.455 3383.455
2940 0.00047653011 -2213.3373 -2213.3373 -3383.4539 3383.4539
2950 3.9326637e-06 -2213.3373 -2213.3373 -3383.448 3383.448
2953 5.7778536e-05 -2213.3373 -2213.3373 -3383.415 3383.415
Loop time of 0.102542 on 1 procs for 103 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32818862 -2213.33734719 -2213.33734838
Force two-norm initial, final = 0.244833 0.00824885
Force max component initial, final = 0.0243185 0.000789037
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 103 103
Pair time (%) = 0.0915504 (89.2809)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000852346 (0.831218)
Outpt time (%) = 0.000662804 (0.646373)
Other time (%) = 0.00947642 (9.24151)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2953 0 -2213.3373 -2213.3373 -3383.4154 3383.4154
2954 5.3594471e-08 -2213.3373 -2213.3373 -3383.4154 3383.4154
Loop time of 0.00212288 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734838 -2213.33734838 -2213.33734838
Force two-norm initial, final = 0.00906641 0.00906641
Force max component initial, final = 0.000693634 0.000693634
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184798 (87.0508)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.763702)
Outpt time (%) = 0 (0)
Other time (%) = 0.000258684 (12.1855)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2900 0 -2213.3197 -2213.3197 -3384.4124 3384.4124
2910 0.0082384368 -2213.3202 -2213.3202 -3384.4564 3384.4564
2920 0.058238142 -2213.3234 -2213.3234 -3384.708 3384.708
2930 0.059015803 -2213.3263 -2213.3263 -3383.5915 3383.5915
2940 0.043471856 -2213.3327 -2213.3327 -3381.0164 3381.0164
2950 0.015244618 -2213.3356 -2213.3356 -3382.6155 3382.6155
2960 0.0018599023 -2213.3359 -2213.3359 -3383.5957 3383.5957
2970 0.012993195 -2213.3366 -2213.3366 -3383.5015 3383.5015
2980 0.0037905052 -2213.3373 -2213.3373 -3383.3995 3383.3995
2990 1.6971819e-05 -2213.3373 -2213.3373 -3383.4664 3383.4664
3000 0.00027191973 -2213.3373 -2213.3373 -3383.4251 3383.4251
3003 0.0003812318 -2213.3374 -2213.3374 -3383.4064 3383.4064
Loop time of 0.102841 on 1 procs for 103 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31970165 -2213.33734846 -2213.33735174
Force two-norm initial, final = 0.326088 0.00971902
Force max component initial, final = 0.0549315 0.000936841
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 103 103
Pair time (%) = 0.0919218 (89.3825)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000852346 (0.828801)
Outpt time (%) = 0.000659704 (0.64148)
Other time (%) = 0.00940704 (9.14718)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
3003 0 -2213.3374 -2213.3374 -3383.409 3383.409
3004 5.724072e-08 -2213.3374 -2213.3374 -3383.409 3383.409
Loop time of 0.00212097 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735174 -2213.33735174 -2213.33735174
Force two-norm initial, final = 0.00936975 0.00936975
Force max component initial, final = 0.000974466 0.000974466
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185013 (87.2302)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.809353)
Outpt time (%) = 0 (0)
Other time (%) = 0.000253677 (11.9604)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2850 0 -2212.763 -2212.763 -3609.44 3609.44
2860 0.092141702 -2212.7684 -2212.7684 -3606.5404 3606.5404
2870 0.45139618 -2212.7915 -2212.7915 -3579.1737 3579.1737
2880 0.40571653 -2212.8029 -2212.8029 -3558.248 3558.248
2890 0.00058354963 -2212.8157 -2212.8157 -3545.3411 3545.3411
2900 0.036183389 -2212.8179 -2212.8179 -3547.4839 3547.4839
2910 0.11659521 -2212.823 -2212.823 -3546.0315 3546.0315
2920 0.026142583 -2212.8244 -2212.8244 -3546.8218 3546.8218
2930 0.0061291382 -2212.825 -2212.825 -3544.4594 3544.4594
2940 0.0032024394 -2212.8263 -2212.8263 -3542.874 3542.874
2950 0.00080212428 -2212.8265 -2212.8265 -3542.3836 3542.3836
2960 0.0066661965 -2212.8269 -2212.8269 -3541.3863 3541.3863
2970 1.7023729e-05 -2212.8272 -2212.8272 -3539.9824 3539.9824
2980 0.00032843338 -2212.8272 -2212.8272 -3539.8438 3539.8438
2981 0.0004260218 -2212.8272 -2212.8272 -3539.801 3539.801
Loop time of 0.131982 on 1 procs for 131 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.76296765 -2212.82720976 -2212.82721534
Force two-norm initial, final = 1.10266 0.00972174
Force max component initial, final = 0.243697 0.000824176
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 131 131
Pair time (%) = 0.119533 (90.5675)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00107932 (0.817778)
Outpt time (%) = 0.000869513 (0.658811)
Other time (%) = 0.0105004 (7.95595)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2981 0 -2212.8272 -2212.8272 -3539.804 3539.804
2982 6.3763748e-08 -2212.8272 -2212.8272 -3539.804 3539.804
Loop time of 0.00215912 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82721534 -2212.82721534 -2212.82721534
Force two-norm initial, final = 0.00988923 0.00988923
Force max component initial, final = 0.000940053 0.000940053
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192475 (89.1453)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.784011)
Outpt time (%) = 0 (0)
Other time (%) = 0.000217438 (10.0707)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2900 0 -2213.3262 -2213.3262 -3389.4054 3389.4054
2910 0.0053057974 -2213.3265 -2213.3265 -3388.6964 3388.6964
2920 0.032565669 -2213.3283 -2213.3283 -3383.2414 3383.2414
2930 0.078151331 -2213.3323 -2213.3323 -3387.4257 3387.4257
2940 0.035994498 -2213.3363 -2213.3363 -3383.214 3383.214
2950 0.0045816446 -2213.3366 -2213.3366 -3383.2876 3383.2876
2960 0.00047247327 -2213.337 -2213.337 -3382.9711 3382.9711
2970 0.00087821679 -2213.3372 -2213.3372 -3383.4722 3383.4722
2980 0.0019478767 -2213.3372 -2213.3372 -3383.4916 3383.4916
2990 0.00031819568 -2213.3373 -2213.3373 -3383.3159 3383.3159
3000 0.00029864783 -2213.3373 -2213.3373 -3383.3908 3383.3908
3010 8.7000595e-05 -2213.3373 -2213.3373 -3383.4785 3383.4785
3020 2.19044e-05 -2213.3373 -2213.3373 -3383.3855 3383.3855
3030 0.00016795758 -2213.3373 -2213.3373 -3383.4052 3383.4052
3039 0.00070757399 -2213.3374 -2213.3374 -3383.3869 3383.3869
Loop time of 0.138398 on 1 procs for 139 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32621368 -2213.33737557 -2213.33738174
Force two-norm initial, final = 0.263546 0.00446896
Force max component initial, final = 0.0434475 0.000313785
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 139 139
Pair time (%) = 0.123321 (89.1058)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00114036 (0.823969)
Outpt time (%) = 0.000869036 (0.627925)
Other time (%) = 0.013068 (9.44231)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
3039 0 -2213.3374 -2213.3374 -3383.3918 3383.3918
3040 1.3021518e-08 -2213.3374 -2213.3374 -3383.3918 3383.3918
Loop time of 0.00226021 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738174 -2213.33738174 -2213.33738174
Force two-norm initial, final = 0.00446896 0.00446896
Force max component initial, final = 0.000313785 0.000313785
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00199008 (88.0485)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.654008)
Outpt time (%) = 0 (0)
Other time (%) = 0.000255346 (11.2975)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
2950 0 -2213.3243 -2213.3243 -3390.9464 3390.9464
2960 0.010332767 -2213.3249 -2213.3249 -3390.1158 3390.1158
2970 0.04863924 -2213.3275 -2213.3275 -3383.4679 3383.4679
2980 0.088082724 -2213.3316 -2213.3316 -3387.0036 3387.0036
2990 0.25426724 -2213.3356 -2213.3356 -3381.906 3381.906
3000 0.00026343957 -2213.3365 -2213.3365 -3383.9635 3383.9635
3010 0.004580015 -2213.3367 -2213.3367 -3383.3476 3383.3476
3020 0.00049681095 -2213.3371 -2213.3371 -3383.4667 3383.4667
3030 0.00014117778 -2213.3371 -2213.3371 -3383.331 3383.331
3040 0.00089943653 -2213.3372 -2213.3372 -3383.4372 3383.4372
3050 0.0034109419 -2213.3373 -2213.3373 -3383.4679 3383.4679
3060 0.00015297476 -2213.3374 -2213.3374 -3383.3825 3383.3825
3070 3.8403344e-05 -2213.3374 -2213.3374 -3383.3906 3383.3906
3080 0.000177009 -2213.3374 -2213.3374 -3383.3979 3383.3979
Loop time of 0.129201 on 1 procs for 130 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32425046 -2213.33737136 -2213.33737312
Force two-norm initial, final = 0.370345 0.00515445
Force max component initial, final = 0.0383983 0.00042199
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 130 130
Pair time (%) = 0.114949 (88.9692)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00105524 (0.816744)
Outpt time (%) = 0.000799894 (0.619109)
Other time (%) = 0.0123968 (9.59499)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
3080 0 -2213.3374 -2213.3374 -3383.3991 3383.3991
3081 1.732265e-08 -2213.3374 -2213.3374 -3383.3991 3383.3991
Loop time of 0.00212002 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737312 -2213.33737312 -2213.33737312
Force two-norm initial, final = 0.00515445 0.00515445
Force max component initial, final = 0.00042199 0.00042199
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185609 (87.5506)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.708502)
Outpt time (%) = 0 (0)
Other time (%) = 0.000248909 (11.7409)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
3000 0 -2213.3211 -2213.3211 -3392.4447 3392.4447
3010 0.011809049 -2213.3218 -2213.3218 -3391.4895 3391.4895
3020 0.04969351 -2213.3245 -2213.3245 -3383.891 3383.891
3030 0.09848352 -2213.3291 -2213.3291 -3388.58 3388.58
3040 0.321505 -2213.3353 -2213.3353 -3380.8378 3380.8378
3050 0.00032949987 -2213.3362 -2213.3362 -3383.6546 3383.6546
3060 0.0065780518 -2213.3365 -2213.3365 -3382.969 3382.969
3070 0.0020011764 -2213.3366 -2213.3366 -3383.1609 3383.1609
3080 0.0096137786 -2213.3369 -2213.3369 -3383.153 3383.153
3090 0.00058843689 -2213.3372 -2213.3372 -3383.3729 3383.3729
3100 0.00041152583 -2213.3373 -2213.3373 -3383.4204 3383.4204
3110 8.2536797e-05 -2213.3373 -2213.3373 -3383.3959 3383.3959
3120 0.00063213758 -2213.3373 -2213.3373 -3383.388 3383.388
3130 5.779753e-05 -2213.3374 -2213.3374 -3383.3926 3383.3926
3135 6.0538402e-06 -2213.3374 -2213.3374 -3383.3996 3383.3996
Loop time of 0.13408 on 1 procs for 135 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32111835 -2213.33737413 -2213.33737427
Force two-norm initial, final = 0.396857 0.00483652
Force max component initial, final = 0.0608654 0.000344921
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 135 135
Pair time (%) = 0.11942 (89.0665)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00110722 (0.825788)
Outpt time (%) = 0.000865459 (0.64548)
Other time (%) = 0.012687 (9.46224)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.12988 Mbytes
Step Temp PotEng pe Press press
3135 0 -2213.3374 -2213.3374 -3383.3996 3383.3996
3136 1.52516e-08 -2213.3374 -2213.3374 -3383.3996 3383.3996
Loop time of 0.00210905 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737427 -2213.33737427 -2213.33737427
Force two-norm initial, final = 0.00483652 0.00483652
Force max component initial, final = 0.000344921 0.000344921
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185323 (87.8702)
Neigh time (%) = 0 (0)
Comm time (%) = 1.54972e-05 (0.734795)
Outpt time (%) = 0 (0)
Other time (%) = 0.000240326 (11.395)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Loop time of 33.7057 on 1 procs for 22 steps with 511 atoms
TAD stats:
NEB time (%) = 12.7307 (37.7701)
Dynamics time (%) = 0 (0)
Quench time (%) = 0 (0)
Comm time (%) = 0 (0)
Output time (%) = 0 (0)
Other time (%) = 20.975 (62.2299)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
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