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LAMMPS (18 Feb 2013)
Processor partition = 2
# temperature accelerated dynamics model for a single vacancy in bulk Si
# events occur when a neighboring atom diffuses to the vacant site
# run this on multiple partitions as
# mpirun -np 3 lmp_g++ -partition 3x1 -in in.tad
units metal
atom_style atomic
atom_modify map array
boundary p p p
atom_modify sort 0 0.0
# temperatures
variable tlo equal 1800.0
variable thi equal 2400.0
# coordination number cutoff
variable r equal 2.835
# minimization parameters
variable etol equal 1.0e-5
variable ftol equal 1.0e-5
variable maxiter equal 100
variable maxeval equal 100
variable dmax equal 1.0e-1
# diamond unit cell
variable a equal 5.431
lattice custom $a a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.0 0.0 0.0 basis 0.0 0.5 0.5 basis 0.5 0.0 0.5 basis 0.5 0.5 0.0 basis 0.25 0.25 0.25 basis 0.25 0.75 0.75 basis 0.75 0.25 0.75 basis 0.75 0.75 0.25
lattice custom 5.4310000000000000497 a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.0 0.0 0.0 basis 0.0 0.5 0.5 basis 0.5 0.0 0.5 basis 0.5 0.5 0.0 basis 0.25 0.25 0.25 basis 0.25 0.75 0.75 basis 0.75 0.25 0.75 basis 0.75 0.75 0.25
Lattice spacing in x,y,z = 5.431 5.431 5.431
region myreg block 0 4 0 4 0 4
create_box 1 myreg
Created orthogonal box = (0 0 0) to (21.724 21.724 21.724)
1 by 1 by 1 MPI processor grid
create_atoms 1 region myreg
Created 512 atoms
mass 1 28.06
group Si type 1
512 atoms in group Si
velocity all create ${thi} 5287286 mom yes rot yes dist gaussian
velocity all create 2400 5287286 mom yes rot yes dist gaussian
# make a vacancy
group del id 300
1 atoms in group del
delete_atoms group del
Deleted 1 atoms, new total = 511
pair_style sw
pair_coeff * * Si.sw Si
thermo 10
fix 1 all nve
fix 2 all langevin ${thi} ${thi} 0.1 48278
fix 2 all langevin 2400 ${thi} 0.1 48278
fix 2 all langevin 2400 2400 0.1 48278
timestep 1.0e-3
neighbor 1.0 bin
neigh_modify every 1 delay 10 check yes
# equilibrate
run 1000
Memory usage per processor = 2.0318 Mbytes
Step Temp E_pair E_mol TotEng Press
0 2397.3877 -2211.666 0 -2053.6238 16437.395
10 1408.3954 -2139.6418 0 -2046.7966 19704.911
20 1093.6239 -2098.8191 0 -2026.7244 19039.499
30 1697.5623 -2125.7046 0 -2013.7967 14407.763
40 1432.3638 -2098.9446 0 -2004.5194 13762.586
50 1355.5121 -2075.899 0 -1986.54 15232.765
60 1740.8873 -2091.9136 0 -1977.1496 12856.126
70 1729.3154 -2080.3289 0 -1966.3278 13304.077
80 1544.9927 -2060.2808 0 -1958.4307 14545.574
90 1856.846 -2074.3867 0 -1951.9784 14679.213
100 1926.6837 -2075.6481 0 -1948.6359 15581.373
110 1952.0127 -2066.2941 0 -1937.6122 17867.407
120 2127.5273 -2070.5556 0 -1930.3033 18800.477
130 2263.2625 -2070.7786 0 -1921.5783 17480.258
140 2108.2074 -2055.1663 0 -1916.1876 18061.09
150 2108.0709 -2056.9914 0 -1918.0217 16185.697
160 2250.38 -2061.9776 0 -1913.6265 14775.208
170 2094.3406 -2051.5912 0 -1913.5267 15618.246
180 2133.2342 -2054.0585 0 -1913.43 14703.698
190 2167.8664 -2054.4793 0 -1911.5678 14412.634
200 2081.1592 -2044.2284 0 -1907.0328 16067.013
210 2193.7422 -2046.2424 0 -1901.6251 17491.305
220 2402.1726 -2058.7802 0 -1900.4225 16445.048
230 2236.7528 -2050.463 0 -1903.0103 15555.164
240 2073.9668 -2040.1169 0 -1903.3955 14943.188
250 2257.4854 -2050.8203 0 -1902.0008 15445.431
260 2315.568 -2051.1362 0 -1898.4877 16359.564
270 2262.0937 -2049.0576 0 -1899.9343 15948.584
280 2309.251 -2049.7917 0 -1897.5597 14754.994
290 2222.9618 -2047.2347 0 -1900.6911 14707.58
300 2150.8078 -2041.3575 0 -1899.5705 16172.518
310 2228.9047 -2040.8171 0 -1893.8817 17426.066
320 2376.2682 -2048.5423 0 -1891.8923 15802.606
330 2320.7227 -2042.4295 0 -1889.4413 16474.996
340 2310.4682 -2042.508 0 -1890.1957 16597.877
350 2466.8374 -2045.3922 0 -1882.7716 17771.513
360 2382.7707 -2044.9519 0 -1887.8733 16757.953
370 2318.9975 -2047.2097 0 -1894.3352 15267.698
380 2227.9435 -2038.9468 0 -1892.0748 15167.633
390 2241.238 -2035.6191 0 -1887.8707 16413.388
400 2298.3869 -2035.5143 0 -1883.9985 17573.361
410 2439.1094 -2041.2185 0 -1880.4259 17417.366
420 2438.0816 -2040.4181 0 -1879.6933 17000.799
430 2419.621 -2039.4524 0 -1879.9446 17277.841
440 2400.3962 -2036.392 0 -1878.1515 17353.749
450 2400.084 -2034.8541 0 -1876.6341 17301.395
460 2443.232 -2038.2591 0 -1877.1947 15880.125
470 2399.563 -2032.3026 0 -1874.117 14524.504
480 2379.1642 -2028.2813 0 -1871.4404 15080.571
490 2257.134 -2030.7105 0 -1881.9142 13267.538
500 2303.4365 -2033.254 0 -1881.4053 13303.626
510 2224.8834 -2029.9027 0 -1883.2324 15142.358
520 2259.6418 -2032.3898 0 -1883.4281 14426.825
530 2244.3528 -2036.563 0 -1888.6093 13611.835
540 2289.2186 -2033.577 0 -1882.6656 14593.524
550 2314.1805 -2030.4002 0 -1877.8432 16550.978
560 2434.1597 -2038.2171 0 -1877.7507 15320.174
570 2356.8023 -2033.9511 0 -1878.5843 15767.645
580 2448.0436 -2037.9988 0 -1876.6172 15958.914
590 2483.692 -2034.8435 0 -1871.1118 16533.816
600 2428.7684 -2032.2828 0 -1872.1719 17139.354
610 2369.1226 -2030.2599 0 -1874.081 15171.807
620 2351.8958 -2032.3817 0 -1877.3384 12759.907
630 2419.4363 -2037.1648 0 -1877.6691 12759.528
640 2306.8968 -2027.1601 0 -1875.0833 13699.543
650 2240.4669 -2023.1048 0 -1875.4073 14586.771
660 2303.5839 -2027.6735 0 -1875.8151 15077.465
670 2379.955 -2030.0505 0 -1873.1575 15633.06
680 2354.1404 -2030.6415 0 -1875.4502 16414.371
690 2427.7365 -2032.9922 0 -1872.9493 17097.223
700 2475.846 -2034.693 0 -1871.4786 18851.309
710 2456.3338 -2031.7442 0 -1869.8161 19487.645
720 2447.4768 -2037.4819 0 -1876.1377 17474.031
730 2435.1585 -2037.6942 0 -1877.162 16882.364
740 2391.3302 -2037.1798 0 -1879.5369 16071.534
750 2326.452 -2029.9922 0 -1876.6263 16117.229
760 2257.6714 -2022.4776 0 -1873.6458 17738.278
770 2371.2269 -2027.8008 0 -1871.4832 18100.791
780 2407.1838 -2030.3917 0 -1871.7037 17026.917
790 2367.9404 -2026.9448 0 -1870.8438 16038.578
800 2374.6123 -2033.0121 0 -1876.4713 14038.371
810 2424.6786 -2036.3506 0 -1876.5093 14206.078
820 2168.9017 -2026.7054 0 -1883.7256 16263.054
830 2323.0047 -2033.1056 0 -1879.967 17703.971
840 2498.7372 -2040.984 0 -1876.2606 17876.907
850 2460.7818 -2036.0467 0 -1873.8254 18545.104
860 2492.3205 -2034.6257 0 -1870.3253 19534.056
870 2575.2601 -2040.6532 0 -1870.8852 18719.18
880 2401.7961 -2030.4479 0 -1872.1151 17576.352
890 2386.7565 -2029.1495 0 -1871.8081 16681.21
900 2331.1129 -2028.8907 0 -1875.2175 14827.322
910 2414.7425 -2029.6198 0 -1870.4335 15192.331
920 2454.6751 -2027.6775 0 -1865.8587 15974.309
930 2428.2206 -2031.2363 0 -1871.1615 16206.415
940 2338.8519 -2027.1405 0 -1872.9572 15790.925
950 2342.8708 -2025.5463 0 -1871.0979 14662.456
960 2446.3658 -2027.9008 0 -1866.6298 16178.407
970 2479.8875 -2029.3424 0 -1865.8616 15827.32
980 2477.0203 -2028.29 0 -1864.9982 14789.439
990 2409.3478 -2024.9793 0 -1866.1486 14519.793
1000 2403.9699 -2022.9475 0 -1864.4714 15470.426
Loop time of 2.29979 on 1 procs for 1000 steps with 511 atoms
Pair time (%) = 2.21489 (96.3082)
Neigh time (%) = 0.0377162 (1.63998)
Comm time (%) = 0.00944972 (0.410894)
Outpt time (%) = 0.000857592 (0.0372899)
Other time (%) = 0.036881 (1.60366)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1021 ave 1021 max 1021 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 13046 ave 13046 max 13046 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13046
Ave neighs/atom = 25.5303
Neighbor list builds = 56
Dangerous builds = 0
# Eliminate COM motion
velocity all zero linear
# only output atoms near vacancy
compute coord all coord/atom $r
compute coord all coord/atom 2.8349999999999999645
#dump events all custom 1 dump.prd id type x y z
#dump_modify events thresh c_coord != 4
compute patom all pe/atom
compute pe all reduce sum c_patom
compute satom all stress/atom
compute str all reduce sum c_satom[1] c_satom[2] c_satom[3]
variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol)
thermo_style custom step temp pe c_pe press v_press
compute event all event/displace 1.0
unfix 1
unfix 2
fix 1 all nvt temp ${thi} ${thi} 0.1
fix 1 all nvt temp 2400 ${thi} 0.1
fix 1 all nvt temp 2400 2400 0.1
# tad nsteps nevent tlo thi delta_conf tmax compute
# [min etol ftol niter neval]
# [neb etol_neb ftol_neb n1steps n2steps nevery]
# [min_style min_style]
# [neb_style min_style]
# [neb_log logfile]
tad 2000 50 ${tlo} ${thi} 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 ${thi} 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 100 ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 100 100 neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
Memory usage per processor = 4.43506 Mbytes
Step Temp PotEng pe Press press
1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21
1010 2402.628 -2209.0552 -2209.0552 13124.77 -13124.77
1020 2402.628 -2213.2419 -2213.2419 13109.348 -13109.348
1022 2402.628 -2213.2803 -2213.2803 13111.643 -13111.643
Loop time of 0.056566 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 (%) = 2.26885 (4010.98)
Neigh time (%) = 0.039026 (68.992)
Comm time (%) = 0.00990248 (17.5061)
Outpt time (%) = 0.000991583 (1.75297)
Other time (%) = -2.2622 (-3999.23)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 2
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1150 0 -2210.3277 -2210.3277 -2894.1659 2894.1659
1160 5.0093068e-10 -2210.3277 -2210.3277 -2894.1654 2894.1654
1170 5.492482e-09 -2210.3277 -2210.3277 -2894.16 2894.16
1180 2.6823132e-08 -2210.3277 -2210.3277 -2894.1364 2894.1364
1190 1.442462e-07 -2210.3278 -2210.3278 -2894.0072 2894.0072
1200 5.6941397e-07 -2210.3281 -2210.3281 -2893.536 2893.536
1210 2.7286163e-06 -2210.3293 -2210.3293 -2891.1444 2891.1444
1220 1.0300063e-05 -2210.3333 -2210.3333 -2882.8466 2882.8466
1230 2.2971017e-05 -2210.3423 -2210.3423 -2854.7405 2854.7405
1240 3.2808569e-05 -2210.3552 -2210.3552 -2871.9077 2871.9077
1250 3.594707e-05 -2210.3722 -2210.3722 -2874.7238 2874.7238
1260 7.8610014e-06 -2210.3556 -2210.3556 -2950.2634 2950.2634
1270 3.1033339e-05 -2210.3775 -2210.3775 -2881.0128 2881.0128
1280 1.6885339e-05 -2210.3769 -2210.3769 -2862.6994 2862.6994
1290 3.2733191e-05 -2210.3788 -2210.3788 -2904.9865 2904.9865
1300 1.3276349e-06 -2210.3607 -2210.3607 -2958.8904 2958.8904
1310 1.1298436e-06 -2210.3638 -2210.3638 -2954.6686 2954.6686
1320 1.2250413e-06 -2210.3708 -2210.3708 -2832.3221 2832.3221
1330 2.5638138e-06 -2210.3697 -2210.3697 -2830.5733 2830.5733
1340 2.6797373e-06 -2210.3797 -2210.3797 -2897.9275 2897.9275
1350 2.4291298e-06 -2210.3794 -2210.3794 -2901.6624 2901.6624
Loop time of 0.203294 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2210.32771293 -2210.37997743 -2210.37935652
Force two-norm initial, final = 0.761559 0.223978
Force max component initial, final = 0.141109 0.115869
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.183693 (90.3584)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00160789 (0.790921)
Outpt time (%) = 0.00133705 (0.657693)
Other time (%) = 0.0166559 (8.19302)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14232 ave 14232 max 14232 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14232
Ave neighs/atom = 27.8513
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1350 0 -2210.3794 -2210.3794 -2901.6624 2901.6624
1360 4.3328896e-11 -2210.3794 -2210.3794 -2901.6621 2901.6621
1370 4.7501887e-10 -2210.3794 -2210.3794 -2901.6594 2901.6594
1380 2.3179452e-09 -2210.3794 -2210.3794 -2901.6476 2901.6476
1390 1.242021e-08 -2210.3794 -2210.3794 -2901.5827 2901.5827
1400 4.8191864e-08 -2210.3794 -2210.3794 -2901.3472 2901.3472
1410 2.1536536e-07 -2210.3795 -2210.3795 -2900.1734 2900.1734
1420 5.8626989e-07 -2210.3798 -2210.3798 -2896.4038 2896.4038
1430 3.5192587e-07 -2210.38 -2210.38 -2884.9637 2884.9637
1440 2.434635e-07 -2210.38 -2210.38 -2890.6413 2890.6413
1450 3.4131704e-08 -2210.3798 -2210.3798 -2895.6337 2895.6337
1460 1.8638458e-08 -2210.3799 -2210.3799 -2893.6776 2893.6776
1470 2.5000627e-08 -2210.38 -2210.38 -2884.7585 2884.7585
1480 1.0199399e-07 -2210.38 -2210.38 -2891.0841 2891.0841
1490 4.0875406e-10 -2210.38 -2210.38 -2890.1409 2890.1409
1500 9.9083081e-09 -2210.38 -2210.38 -2887.758 2887.758
1510 3.400939e-08 -2210.38 -2210.38 -2888.871 2888.871
Loop time of 0.160341 on 1 procs for 160 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2210.37935652 -2210.37998812 -2210.37999469
Force two-norm initial, final = 0.223978 0.00662292
Force max component initial, final = 0.115869 0.00339832
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 160 160
Pair time (%) = 0.147596 (92.0511)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00130224 (0.81217)
Outpt time (%) = 0.000999212 (0.623179)
Other time (%) = 0.0104439 (6.51357)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14232 ave 14232 max 14232 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14232
Ave neighs/atom = 27.8513
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1550 0 -2213.2368 -2213.2368 -3396.2547 3396.2547
1560 1.9039633e-10 -2213.2368 -2213.2368 -3396.2547 3396.2547
1570 2.0876357e-09 -2213.2368 -2213.2368 -3396.254 3396.254
1580 1.0194865e-08 -2213.2368 -2213.2368 -3396.251 3396.251
1590 5.4833166e-08 -2213.2368 -2213.2368 -3396.2345 3396.2345
1600 2.1623698e-07 -2213.2369 -2213.2369 -3396.1746 3396.1746
1610 1.0396353e-06 -2213.2374 -2213.2374 -3395.8735 3395.8735
1620 3.9477339e-06 -2213.2391 -2213.2391 -3394.8687 3394.8687
1630 1.8936831e-05 -2213.2467 -2213.2467 -3391.2209 3391.2209
1640 5.0020717e-05 -2213.2672 -2213.2672 -3390.6889 3390.6889
1650 0.00010605104 -2213.3175 -2213.3175 -3385.7784 3385.7784
1660 6.5069812e-07 -2213.336 -2213.336 -3383.3143 3383.3143
1670 3.1350052e-07 -2213.3364 -2213.3364 -3383.8397 3383.8397
1680 1.0763366e-06 -2213.3369 -2213.3369 -3383.6793 3383.6793
1690 3.4333633e-08 -2213.3372 -2213.3372 -3383.4535 3383.4535
1700 2.6460074e-08 -2213.3373 -2213.3373 -3383.3317 3383.3317
1710 1.1436703e-07 -2213.3374 -2213.3374 -3383.3522 3383.3522
1716 9.6055846e-09 -2213.3374 -2213.3374 -3383.3875 3383.3875
Loop time of 0.166742 on 1 procs for 166 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.23675492 -2213.3373777 -2213.33737924
Force two-norm initial, final = 0.469509 0.00806101
Force max component initial, final = 0.0569166 0.00101257
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 166 166
Pair time (%) = 0.146234 (87.7007)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0013082 (0.784568)
Outpt time (%) = 0.00106955 (0.641438)
Other time (%) = 0.0181303 (10.8733)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1716 0 -2213.3374 -2213.3374 -3383.3875 3383.3875
1717 4.5509861e-16 -2213.3374 -2213.3374 -3383.3875 3383.3875
Loop time of 0.00216007 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737924 -2213.33737924 -2213.33737924
Force two-norm initial, final = 0.00806101 0.00806101
Force max component initial, final = 0.00101257 0.00101257
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185418 (85.8389)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.783664)
Outpt time (%) = 0 (0)
Other time (%) = 0.000288963 (13.3775)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1950 0 -2210.3201 -2210.3201 -2984.6338 2984.6338
1960 1.5298925e-10 -2210.3201 -2210.3201 -2984.6341 2984.6341
1970 1.6774483e-09 -2210.3201 -2210.3201 -2984.637 2984.637
1980 8.1915809e-09 -2210.3201 -2210.3201 -2984.6498 2984.6498
1990 4.4043183e-08 -2210.3201 -2210.3201 -2984.7196 2984.7196
2000 1.736695e-07 -2210.3202 -2210.3202 -2984.9736 2984.9736
2010 8.2973006e-07 -2210.3206 -2210.3206 -2986.245 2986.245
2020 3.1280897e-06 -2210.3218 -2210.3218 -2990.4143 2990.4143
2030 1.0321813e-05 -2210.3256 -2210.3256 -3001.3547 3001.3547
2040 2.3571966e-05 -2210.3351 -2210.3351 -2984.4566 2984.4566
2050 6.5744893e-08 -2210.352 -2210.352 -2977.6133 2977.6133
2060 5.6793351e-06 -2210.3553 -2210.3553 -2968.6595 2968.6595
2070 1.7533506e-06 -2210.3578 -2210.3578 -2960.0547 2960.0547
2080 6.3990654e-06 -2210.3618 -2210.3618 -2953.2118 2953.2118
2090 1.2071723e-06 -2210.3625 -2210.3625 -2952.0833 2952.0833
2100 5.3510687e-09 -2210.3645 -2210.3645 -2942.6078 2942.6078
2110 3.1027508e-08 -2210.3646 -2210.3646 -2941.4323 2941.4323
2120 3.8245439e-07 -2210.3648 -2210.3648 -2940.2031 2940.2031
2130 1.6048232e-06 -2210.3657 -2210.3657 -2932.4563 2932.4563
2140 8.3390819e-08 -2210.3662 -2210.3662 -2927.144 2927.144
2150 1.1404807e-09 -2210.3665 -2210.3665 -2921.2368 2921.2368
Loop time of 0.203044 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2210.32008705 -2210.36646754 -2210.36646754
Force two-norm initial, final = 0.420868 0.0176185
Force max component initial, final = 0.164469 0.00364235
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.184614 (90.9234)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00159168 (0.78391)
Outpt time (%) = 0.0013423 (0.661087)
Other time (%) = 0.0154955 (7.63162)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14222 ave 14222 max 14222 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14222
Ave neighs/atom = 27.8317
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2150 0 -2210.3665 -2210.3665 -2921.2368 2921.2368
2160 2.6810817e-13 -2210.3665 -2210.3665 -2921.2368 2921.2368
2170 2.9399037e-12 -2210.3665 -2210.3665 -2921.2367 2921.2367
2180 1.4362192e-11 -2210.3665 -2210.3665 -2921.2367 2921.2367
2190 7.7377007e-11 -2210.3665 -2210.3665 -2921.2363 2921.2363
2200 3.0758214e-10 -2210.3665 -2210.3665 -2921.2347 2921.2347
2210 1.5285846e-09 -2210.3665 -2210.3665 -2921.2267 2921.2267
2220 6.9065397e-09 -2210.3665 -2210.3665 -2921.1925 2921.1925
2230 5.2984347e-08 -2210.3665 -2210.3665 -2920.8599 2920.8599
2240 9.1976987e-08 -2210.3665 -2210.3665 -2919.6703 2919.6703
2250 1.8852598e-07 -2210.3667 -2210.3667 -2915.7062 2915.7062
2260 8.4849705e-10 -2210.3667 -2210.3667 -2914.7636 2914.7636
2263 2.8403331e-09 -2210.3667 -2210.3667 -2914.7108 2914.7108
Loop time of 0.116554 on 1 procs for 113 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2210.36646754 -2210.36667402 -2210.36667448
Force two-norm initial, final = 0.0176185 0.00939525
Force max component initial, final = 0.00364235 0.00201016
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 113 113
Pair time (%) = 0.105707 (90.6937)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000905275 (0.7767)
Outpt time (%) = 0.000733852 (0.629624)
Other time (%) = 0.00920773 (7.89996)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14230 ave 14230 max 14230 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14230
Ave neighs/atom = 27.8474
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2350 0 -2213.3234 -2213.3234 -3384.2623 3384.2623
2360 2.4136758e-10 -2213.3234 -2213.3234 -3384.2623 3384.2623
2370 2.6463553e-09 -2213.3234 -2213.3234 -3384.2624 3384.2624
2380 1.291923e-08 -2213.3235 -2213.3235 -3384.2626 3384.2626
2390 6.9375585e-08 -2213.3235 -2213.3235 -3384.2642 3384.2642
2400 2.7177557e-07 -2213.3236 -2213.3236 -3384.2697 3384.2697
2410 1.2674913e-06 -2213.3242 -2213.3242 -3384.2942 3384.2942
2420 4.2353281e-06 -2213.326 -2213.326 -3384.3357 3384.3357
2430 1.0918189e-05 -2213.3304 -2213.3304 -3383.9338 3383.9338
2440 1.1142917e-05 -2213.3347 -2213.3347 -3383.3492 3383.3492
2450 5.3493734e-06 -2213.3357 -2213.3357 -3383.4646 3383.4646
2460 3.8701125e-06 -2213.3367 -2213.3367 -3384.1529 3384.1529
2470 6.3677933e-07 -2213.3371 -2213.3371 -3383.2689 3383.2689
2480 5.6946852e-07 -2213.3373 -2213.3373 -3383.4752 3383.4752
2490 1.358502e-07 -2213.3373 -2213.3373 -3383.3484 3383.3484
2500 1.4404824e-08 -2213.3373 -2213.3373 -3383.3376 3383.3376
2510 5.0415063e-08 -2213.3374 -2213.3374 -3383.3787 3383.3787
2520 8.3323473e-08 -2213.3374 -2213.3374 -3383.3002 3383.3002
2527 1.1571795e-08 -2213.3374 -2213.3374 -3383.4143 3383.4143
Loop time of 0.178356 on 1 procs for 177 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32344573 -2213.33738416 -2213.33738484
Force two-norm initial, final = 0.528634 0.00481446
Force max component initial, final = 0.0645651 0.000839477
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 177 177
Pair time (%) = 0.156353 (87.6637)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00140858 (0.789756)
Outpt time (%) = 0.00114131 (0.639906)
Other time (%) = 0.0194526 (10.9066)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2527 0 -2213.3374 -2213.3374 -3383.4143 3383.4143
2530 1.4610464e-15 -2213.3374 -2213.3374 -3383.4143 3383.4143
2540 4.3853458e-14 -2213.3374 -2213.3374 -3383.4143 3383.4143
2550 3.7656975e-13 -2213.3374 -2213.3374 -3383.4143 3383.4143
2560 1.7392829e-12 -2213.3374 -2213.3374 -3383.4143 3383.4143
2570 9.0265613e-12 -2213.3374 -2213.3374 -3383.4143 3383.4143
2580 3.5138681e-11 -2213.3374 -2213.3374 -3383.4142 3383.4142
2584 6.558358e-11 -2213.3374 -2213.3374 -3383.414 3383.414
Loop time of 0.0581439 on 1 procs for 57 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738484 -2213.33738487 -2213.33738488
Force two-norm initial, final = 0.00481446 0.00469678
Force max component initial, final = 0.000839477 0.000834097
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 57 57
Pair time (%) = 0.050966 (87.655)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000470161 (0.808618)
Outpt time (%) = 0.000404835 (0.696264)
Other time (%) = 0.00630283 (10.8401)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2800 0 -2210.2791 -2210.2791 -2897.8685 2897.8685
2810 5.8798622e-10 -2210.2791 -2210.2791 -2897.8684 2897.8684
2820 6.4472498e-09 -2210.2791 -2210.2791 -2897.8673 2897.8673
2830 3.1492002e-08 -2210.2792 -2210.2792 -2897.8627 2897.8627
2840 1.6951856e-07 -2210.2792 -2210.2792 -2897.8377 2897.8377
2850 6.7193648e-07 -2210.2795 -2210.2795 -2897.7461 2897.7461
2860 3.2821348e-06 -2210.2811 -2210.2811 -2897.2741 2897.2741
2870 1.358526e-05 -2210.2862 -2210.2862 -2895.5205 2895.5205
2880 4.5479353e-05 -2210.3028 -2210.3028 -2886.963 2886.963
2890 4.8228066e-05 -2210.3217 -2210.3217 -2880.2603 2880.2603
2900 4.8688082e-05 -2210.3519 -2210.3519 -2890.1748 2890.1748
2910 2.1476452e-07 -2210.3545 -2210.3545 -2888.9476 2888.9476
2920 3.3235413e-06 -2210.3564 -2210.3564 -2888.4434 2888.4434
2930 8.7216506e-06 -2210.3617 -2210.3617 -2892.8658 2892.8658
2940 1.1224881e-08 -2210.3641 -2210.3641 -2895.4084 2895.4084
2950 5.423776e-07 -2210.3644 -2210.3644 -2895.3897 2895.3897
2960 1.1053915e-07 -2210.3648 -2210.3648 -2895.9001 2895.9001
2970 4.2797497e-08 -2210.3649 -2210.3649 -2896.0886 2896.0886
2980 4.9523656e-07 -2210.3652 -2210.3652 -2896.735 2896.735
2990 1.4667391e-06 -2210.366 -2210.366 -2898.7478 2898.7478
3000 2.0477083e-10 -2210.3666 -2210.3666 -2901.5784 2901.5784
Loop time of 0.201283 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2210.27913224 -2210.36659674 -2210.36659674
Force two-norm initial, final = 0.825083 0.0135736
Force max component initial, final = 0.110945 0.00166236
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.185101 (91.9605)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0016067 (0.798231)
Outpt time (%) = 0.00133705 (0.664265)
Other time (%) = 0.0132384 (6.57702)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14230 ave 14230 max 14230 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14230
Ave neighs/atom = 27.8474
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3000 0 -2210.3666 -2210.3666 -2901.5784 2901.5784
3010 1.5913468e-13 -2210.3666 -2210.3666 -2901.5784 2901.5784
3020 1.7449696e-12 -2210.3666 -2210.3666 -2901.5784 2901.5784
3030 8.5246056e-12 -2210.3666 -2210.3666 -2901.5784 2901.5784
3040 4.5926453e-11 -2210.3666 -2210.3666 -2901.5787 2901.5787
3050 1.8254822e-10 -2210.3666 -2210.3666 -2901.5795 2901.5795
3060 9.0686196e-10 -2210.3666 -2210.3666 -2901.584 2901.584
3070 4.0615755e-09 -2210.3666 -2210.3666 -2901.6008 2901.6008
3080 2.621072e-08 -2210.3666 -2210.3666 -2901.7047 2901.7047
3090 5.7025655e-08 -2210.3666 -2210.3666 -2902.0006 2902.0006
3100 1.3012627e-07 -2210.3667 -2210.3667 -2903.1849 2903.1849
3105 4.2214234e-09 -2210.3667 -2210.3667 -2903.2252 2903.2252
Loop time of 0.106131 on 1 procs for 105 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2210.36659674 -2210.3667094 -2210.36671018
Force two-norm initial, final = 0.0135736 0.00748907
Force max component initial, final = 0.00166236 0.000944124
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 105 105
Pair time (%) = 0.0978246 (92.1734)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000856876 (0.807376)
Outpt time (%) = 0.000659704 (0.621594)
Other time (%) = 0.00678992 (6.39768)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14230 ave 14230 max 14230 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14230
Ave neighs/atom = 27.8474
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1600 0 -2213.3006 -2213.3006 -3388.355 3388.355
1610 2.7779183e-10 -2213.3006 -2213.3006 -3388.355 3388.355
1620 3.0457945e-09 -2213.3006 -2213.3006 -3388.3548 3388.3548
1630 1.4871079e-08 -2213.3006 -2213.3006 -3388.3542 3388.3542
1640 7.9910872e-08 -2213.3006 -2213.3006 -3388.351 3388.351
1650 3.1382436e-07 -2213.3007 -2213.3007 -3388.339 3388.339
1660 1.4821751e-06 -2213.3015 -2213.3015 -3388.2768 3388.2768
1670 5.1768016e-06 -2213.3037 -2213.3037 -3388.0415 3388.0415
1680 1.6640678e-05 -2213.3112 -2213.3112 -3386.7191 3386.7191
1690 2.2600571e-05 -2213.3203 -2213.3203 -3384.7529 3384.7529
1700 2.5542751e-05 -2213.3315 -2213.3315 -3382.8807 3382.8807
1710 1.46454e-06 -2213.3366 -2213.3366 -3381.6037 3381.6037
1720 2.473232e-07 -2213.3371 -2213.3371 -3383.3007 3383.3007
1730 4.1390719e-07 -2213.3373 -2213.3373 -3383.5444 3383.5444
1740 7.8365647e-08 -2213.3374 -2213.3374 -3383.3886 3383.3886
1750 8.1783151e-09 -2213.3374 -2213.3374 -3383.4095 3383.4095
1760 2.022227e-08 -2213.3374 -2213.3374 -3383.4041 3383.4041
1770 3.6247798e-09 -2213.3374 -2213.3374 -3383.4407 3383.4407
1772 1.1112911e-08 -2213.3374 -2213.3374 -3383.4174 3383.4174
Loop time of 0.169733 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30055148 -2213.33738589 -2213.33738741
Force two-norm initial, final = 0.56712 0.00551351
Force max component initial, final = 0.0597908 0.000425695
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.151712 (89.383)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00135875 (0.80052)
Outpt time (%) = 0.00113368 (0.66792)
Other time (%) = 0.0155282 (9.1486)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1772 0 -2213.3374 -2213.3374 -3383.4174 3383.4174
1780 1.4702192e-14 -2213.3374 -2213.3374 -3383.4174 3383.4174
1790 1.8555136e-13 -2213.3374 -2213.3374 -3383.4174 3383.4174
1800 1.030477e-12 -2213.3374 -2213.3374 -3383.4174 3383.4174
1810 5.3161267e-12 -2213.3374 -2213.3374 -3383.4174 3383.4174
1820 2.2331734e-11 -2213.3374 -2213.3374 -3383.4172 3383.4172
1830 9.8493926e-11 -2213.3374 -2213.3374 -3383.4165 3383.4165
1840 3.4014429e-10 -2213.3374 -2213.3374 -3383.4138 3383.4138
1850 8.0593876e-10 -2213.3374 -2213.3374 -3383.4041 3383.4041
1860 1.2064644e-09 -2213.3374 -2213.3374 -3383.395 3383.395
1870 6.6794793e-10 -2213.3374 -2213.3374 -3383.3886 3383.3886
1880 3.3654233e-10 -2213.3374 -2213.3374 -3383.3905 3383.3905
1890 4.6293412e-11 -2213.3374 -2213.3374 -3383.3947 3383.3947
1900 5.2102963e-11 -2213.3374 -2213.3374 -3383.3933 3383.3933
1910 5.9924822e-11 -2213.3374 -2213.3374 -3383.3932 3383.3932
1920 5.5178222e-13 -2213.3374 -2213.3374 -3383.3952 3383.3952
1930 5.5250169e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946
1940 3.6549008e-12 -2213.3374 -2213.3374 -3383.3943 3383.3943
1950 3.1135e-14 -2213.3374 -2213.3374 -3383.3946 3383.3946
1960 1.8634855e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946
1970 3.6527793e-15 -2213.3374 -2213.3374 -3383.3946 3383.3946
1972 7.1489085e-15 -2213.3374 -2213.3374 -3383.3946 3383.3946
Loop time of 0.196566 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33738741 -2213.3373891 -2213.3373891
Force two-norm initial, final = 0.00551351 6.27102e-06
Force max component initial, final = 0.000425695 4.46243e-07
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.175596 (89.3318)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00159121 (0.809502)
Outpt time (%) = 0.00139499 (0.709678)
Other time (%) = 0.0179839 (9.14904)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1650 0 -2213.3239 -2213.3239 -3386.1773 3386.1773
1660 8.4288554e-11 -2213.3239 -2213.3239 -3386.1773 3386.1773
1670 9.2412998e-10 -2213.3239 -2213.3239 -3386.1771 3386.1771
1680 4.5112345e-09 -2213.3239 -2213.3239 -3386.176 3386.176
1690 2.4218115e-08 -2213.3239 -2213.3239 -3386.1702 3386.1702
1700 9.4752875e-08 -2213.324 -2213.324 -3386.1491 3386.1491
1710 4.3947393e-07 -2213.3242 -2213.3242 -3386.0424 3386.0424
1720 1.4330632e-06 -2213.3248 -2213.3248 -3385.6781 3385.6781
1730 3.4127464e-06 -2213.3262 -2213.3262 -3384.2913 3384.2913
1740 6.0615935e-06 -2213.3286 -2213.3286 -3384.7016 3384.7016
1750 1.3009955e-05 -2213.3346 -2213.3346 -3383.4657 3383.4657
1760 6.1818469e-07 -2213.3371 -2213.3371 -3382.5743 3382.5743
1770 7.0158382e-08 -2213.3373 -2213.3373 -3383.3865 3383.3865
1780 9.6043821e-08 -2213.3373 -2213.3373 -3383.4275 3383.4275
1790 4.4667814e-08 -2213.3374 -2213.3374 -3383.2649 3383.2649
1800 6.68214e-09 -2213.3374 -2213.3374 -3383.4224 3383.4224
1810 1.2685219e-08 -2213.3374 -2213.3374 -3383.4641 3383.4641
1820 6.4663926e-09 -2213.3374 -2213.3374 -3383.3597 3383.3597
1821 7.2438561e-09 -2213.3374 -2213.3374 -3383.3861 3383.3861
Loop time of 0.169756 on 1 procs for 171 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32390268 -2213.33738425 -2213.33738467
Force two-norm initial, final = 0.312392 0.00278266
Force max component initial, final = 0.0388695 0.000244585
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 171 171
Pair time (%) = 0.150218 (88.4904)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00136399 (0.803502)
Outpt time (%) = 0.00113249 (0.667127)
Other time (%) = 0.0170417 (10.0389)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1821 0 -2213.3374 -2213.3374 -3383.3861 3383.3861
1822 5.4230679e-17 -2213.3374 -2213.3374 -3383.3861 3383.3861
Loop time of 0.00215316 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738467 -2213.33738467 -2213.33738467
Force two-norm initial, final = 0.00278266 0.00278266
Force max component initial, final = 0.000244585 0.000244585
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184274 (85.583)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.752962)
Outpt time (%) = 0 (0)
Other time (%) = 0.000294209 (13.664)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1700 0 -2213.2886 -2213.2886 -3394.8999 3394.8999
1710 1.7613681e-10 -2213.2886 -2213.2886 -3394.8999 3394.8999
1720 1.9312551e-09 -2213.2886 -2213.2886 -3394.8992 3394.8992
1730 9.4304188e-09 -2213.2887 -2213.2887 -3394.896 3394.896
1740 5.0701508e-08 -2213.2887 -2213.2887 -3394.8786 3394.8786
1750 1.9960212e-07 -2213.2888 -2213.2888 -3394.8154 3394.8154
1760 9.5251408e-07 -2213.2892 -2213.2892 -3394.4972 3394.4972
1770 3.5061247e-06 -2213.2907 -2213.2907 -3393.4306 3393.4306
1780 1.4986695e-05 -2213.2969 -2213.2969 -3389.484 3389.484
1790 3.6032459e-05 -2213.3117 -2213.3117 -3388.6901 3388.6901
1800 4.5308219e-05 -2213.3326 -2213.3326 -3383.9479 3383.9479
1810 1.2884592e-06 -2213.334 -2213.334 -3381.0288 3381.0288
1820 5.9737074e-07 -2213.3347 -2213.3347 -3382.5266 3382.5266
1830 2.5521865e-06 -2213.336 -2213.336 -3382.5658 3382.5658
1840 6.7042102e-08 -2213.3372 -2213.3372 -3382.4715 3382.4715
1850 1.9518672e-08 -2213.3373 -2213.3373 -3383.566 3383.566
1860 1.0711716e-07 -2213.3373 -2213.3373 -3383.44 3383.44
1870 9.7485898e-08 -2213.3374 -2213.3374 -3383.658 3383.658
1874 7.4500873e-09 -2213.3374 -2213.3374 -3383.4501 3383.4501
Loop time of 0.173377 on 1 procs for 174 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28864614 -2213.33738016 -2213.33738117
Force two-norm initial, final = 0.451586 0.00499743
Force max component initial, final = 0.0517507 0.000637952
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 174 174
Pair time (%) = 0.153516 (88.5446)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00141048 (0.813536)
Outpt time (%) = 0.001127 (0.650031)
Other time (%) = 0.0173235 (9.9918)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1874 0 -2213.3374 -2213.3374 -3383.4501 3383.4501
1875 1.7491189e-16 -2213.3374 -2213.3374 -3383.4501 3383.4501
Loop time of 0.00213885 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738117 -2213.33738117 -2213.33738117
Force two-norm initial, final = 0.00499743 0.00499743
Force max component initial, final = 0.000637952 0.000637952
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185299 (86.6347)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.746851)
Outpt time (%) = 0 (0)
Other time (%) = 0.00026989 (12.6184)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1650 0 -2213.2904 -2213.2904 -3383.9979 3383.9979
1660 3.2517147e-10 -2213.2904 -2213.2904 -3383.9979 3383.9979
1670 3.5652102e-09 -2213.2904 -2213.2904 -3383.9984 3383.9984
1680 1.7405659e-08 -2213.2904 -2213.2904 -3384.0002 3384.0002
1690 9.3486385e-08 -2213.2904 -2213.2904 -3384.0102 3384.0102
1700 3.6652147e-07 -2213.2906 -2213.2906 -3384.0463 3384.0463
1710 1.7159765e-06 -2213.2914 -2213.2914 -3384.2238 3384.2238
1720 5.8247643e-06 -2213.2939 -2213.2939 -3384.7656 3384.7656
1730 1.6631137e-05 -2213.3006 -2213.3006 -3386.0133 3386.0133
1740 2.6807636e-05 -2213.3107 -2213.3107 -3384.9084 3384.9084
1750 3.9587458e-05 -2213.33 -2213.33 -3384.1839 3384.1839
1760 3.7041901e-06 -2213.3353 -2213.3353 -3383.5466 3383.5466
1770 6.1399657e-07 -2213.3357 -2213.3357 -3383.6516 3383.6516
1780 1.1262592e-06 -2213.3363 -2213.3363 -3383.5599 3383.5599
1790 1.5962271e-07 -2213.337 -2213.337 -3383.7564 3383.7564
1800 4.0761305e-08 -2213.337 -2213.337 -3383.4078 3383.4078
1810 2.0660343e-07 -2213.3371 -2213.3371 -3383.386 3383.386
1820 4.1687831e-07 -2213.3373 -2213.3373 -3383.1483 3383.1483
1830 3.7670728e-09 -2213.3373 -2213.3373 -3383.4417 3383.4417
1832 6.269078e-09 -2213.3373 -2213.3373 -3383.4144 3383.4144
Loop time of 0.180799 on 1 procs for 182 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29035342 -2213.33734399 -2213.33734465
Force two-norm initial, final = 0.613581 0.00797302
Force max component initial, final = 0.0647895 0.000620187
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 182 182
Pair time (%) = 0.160241 (88.6292)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00143266 (0.792403)
Outpt time (%) = 0.00119686 (0.661984)
Other time (%) = 0.0179288 (9.91645)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1832 0 -2213.3373 -2213.3373 -3383.4144 3383.4144
1833 4.4521665e-16 -2213.3373 -2213.3373 -3383.4144 3383.4144
Loop time of 0.002141 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734465 -2213.33734465 -2213.33734465
Force two-norm initial, final = 0.00797302 0.00797302
Force max component initial, final = 0.000620187 0.000620187
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184917 (86.3697)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.801782)
Outpt time (%) = 0 (0)
Other time (%) = 0.000274658 (12.8285)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1700 0 -2213.2885 -2213.2885 -3393.6273 3393.6273
1710 1.8382646e-10 -2213.2885 -2213.2885 -3393.6273 3393.6273
1720 2.0155899e-09 -2213.2885 -2213.2885 -3393.6268 3393.6268
1730 9.8427849e-09 -2213.2885 -2213.2885 -3393.6246 3393.6246
1740 5.2933121e-08 -2213.2885 -2213.2885 -3393.6129 3393.6129
1750 2.0863155e-07 -2213.2886 -2213.2886 -3393.57 3393.57
1760 1.0006021e-06 -2213.2891 -2213.2891 -3393.3541 3393.3541
1770 3.751598e-06 -2213.2907 -2213.2907 -3392.6264 3392.6264
1780 1.6772413e-05 -2213.2974 -2213.2974 -3389.7982 3389.7982
1790 3.6340272e-05 -2213.3116 -2213.3116 -3388.2367 3388.2367
1800 4.1383153e-05 -2213.3317 -2213.3317 -3384.1502 3384.1502
1810 2.1519776e-06 -2213.3343 -2213.3343 -3382.1291 3382.1291
1820 7.9907301e-07 -2213.3347 -2213.3347 -3382.8652 3382.8652
1830 2.8751616e-06 -2213.3362 -2213.3362 -3382.6943 3382.6943
1840 7.1102985e-08 -2213.3369 -2213.3369 -3383.4235 3383.4235
1850 4.610599e-08 -2213.337 -2213.337 -3383.4083 3383.4083
1860 3.7365457e-07 -2213.3371 -2213.3371 -3383.2976 3383.2976
1870 3.6682086e-07 -2213.3374 -2213.3374 -3383.6586 3383.6586
1880 1.5825736e-09 -2213.3374 -2213.3374 -3383.3225 3383.3225
1881 2.0878444e-09 -2213.3374 -2213.3374 -3383.3731 3383.3731
Loop time of 0.179999 on 1 procs for 181 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28850602 -2213.33738566 -2213.33738589
Force two-norm initial, final = 0.461337 0.00365913
Force max component initial, final = 0.0845325 0.00040908
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 181 181
Pair time (%) = 0.159722 (88.735)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00143743 (0.798575)
Outpt time (%) = 0.00120521 (0.669563)
Other time (%) = 0.0176342 (9.79681)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1881 0 -2213.3374 -2213.3374 -3383.3731 3383.3731
1882 9.3774045e-17 -2213.3374 -2213.3374 -3383.3731 3383.3731
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 =
-2213.33738589 -2213.33738589 -2213.33738589
Force two-norm initial, final = 0.00365913 0.00365913
Force max component initial, final = 0.00040908 0.00040908
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185013 (86.6555)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.759352)
Outpt time (%) = 0 (0)
Other time (%) = 0.000268698 (12.5851)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1750 0 -2213.2882 -2213.2882 -3394.5698 3394.5698
1760 1.774932e-10 -2213.2882 -2213.2882 -3394.5697 3394.5697
1770 1.9461491e-09 -2213.2882 -2213.2882 -3394.5691 3394.5691
1780 9.5037133e-09 -2213.2882 -2213.2882 -3394.5663 3394.5663
1790 5.1110445e-08 -2213.2883 -2213.2883 -3394.5512 3394.5512
1800 2.0146144e-07 -2213.2884 -2213.2884 -3394.4963 3394.4963
1810 9.6653637e-07 -2213.2888 -2213.2888 -3394.2201 3394.2201
1820 3.6306135e-06 -2213.2904 -2213.2904 -3393.293 3393.293
1830 1.6479396e-05 -2213.2969 -2213.2969 -3389.7731 3389.7731
1840 3.6945308e-05 -2213.3114 -2213.3114 -3388.3474 3388.3474
1850 4.1822303e-05 -2213.3316 -2213.3316 -3384.1539 3384.1539
1860 9.4257117e-07 -2213.3339 -2213.3339 -3380.3454 3380.3454
1870 5.1701159e-07 -2213.3349 -2213.3349 -3382.7389 3382.7389
1880 2.0407987e-06 -2213.3362 -2213.3362 -3382.3143 3382.3143
1890 4.1811427e-08 -2213.3372 -2213.3372 -3382.5545 3382.5545
1900 1.7530475e-08 -2213.3373 -2213.3373 -3383.4519 3383.4519
1910 1.1946411e-07 -2213.3373 -2213.3373 -3383.408 3383.408
1920 3.5342023e-09 -2213.3374 -2213.3374 -3383.2108 3383.2108
1922 6.6728658e-09 -2213.3374 -2213.3374 -3383.3465 3383.3465
Loop time of 0.176228 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28822947 -2213.33737189 -2213.33737263
Force two-norm initial, final = 0.453321 0.00681964
Force max component initial, final = 0.0773247 0.0007306
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.152769 (86.6884)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00138092 (0.783599)
Outpt time (%) = 0.00115585 (0.655885)
Other time (%) = 0.0209219 (11.8721)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1922 0 -2213.3374 -2213.3374 -3383.3465 3383.3465
1923 3.2572381e-16 -2213.3374 -2213.3374 -3383.3465 3383.3465
Loop time of 0.00220394 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737263 -2213.33737263 -2213.33737263
Force two-norm initial, final = 0.00681964 0.00681964
Force max component initial, final = 0.0007306 0.0007306
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00186896 (84.801)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.724794)
Outpt time (%) = 0 (0)
Other time (%) = 0.000319004 (14.4743)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1800 0 -2213.2882 -2213.2882 -3395.5242 3395.5242
1810 1.7623222e-10 -2213.2882 -2213.2882 -3395.5242 3395.5242
1820 1.9323191e-09 -2213.2882 -2213.2882 -3395.5234 3395.5234
1830 9.4360814e-09 -2213.2882 -2213.2882 -3395.52 3395.52
1840 5.0744172e-08 -2213.2882 -2213.2882 -3395.5014 3395.5014
1850 1.9997618e-07 -2213.2883 -2213.2883 -3395.4337 3395.4337
1860 9.5854836e-07 -2213.2888 -2213.2888 -3395.0932 3395.0932
1870 3.5899885e-06 -2213.2903 -2213.2903 -3393.9527 3393.9527
1880 1.627482e-05 -2213.2968 -2213.2968 -3389.6857 3389.6857
1890 3.7301146e-05 -2213.3114 -2213.3114 -3388.4494 3388.4494
1900 4.1935908e-05 -2213.3317 -2213.3317 -3384.1455 3384.1455
1910 2.0627413e-06 -2213.3343 -2213.3343 -3381.7569 3381.7569
1920 8.3401267e-07 -2213.3347 -2213.3347 -3382.9585 3382.9585
1930 2.9324772e-06 -2213.3362 -2213.3362 -3382.4607 3382.4607
1940 8.4654282e-08 -2213.3369 -2213.3369 -3383.4349 3383.4349
1950 4.776711e-08 -2213.3369 -2213.3369 -3383.3978 3383.3978
1960 3.7560805e-07 -2213.3371 -2213.3371 -3383.2198 3383.2198
1970 3.7117247e-07 -2213.3374 -2213.3374 -3383.756 3383.756
1980 3.4049718e-09 -2213.3374 -2213.3374 -3383.2716 3383.2716
1981 4.2383146e-09 -2213.3374 -2213.3374 -3383.3553 3383.3553
Loop time of 0.186222 on 1 procs for 181 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28819682 -2213.33738529 -2213.33738567
Force two-norm initial, final = 0.451708 0.00393386
Force max component initial, final = 0.0699404 0.000473916
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 181 181
Pair time (%) = 0.160828 (86.3634)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00144529 (0.776113)
Outpt time (%) = 0.00122023 (0.655253)
Other time (%) = 0.0227289 (12.2053)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1981 0 -2213.3374 -2213.3374 -3383.3553 3383.3553
1982 1.0838361e-16 -2213.3374 -2213.3374 -3383.3553 3383.3553
Loop time of 0.00213885 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738567 -2213.33738567 -2213.33738567
Force two-norm initial, final = 0.00393386 0.00393386
Force max component initial, final = 0.000473916 0.000473916
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184822 (86.4118)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.746851)
Outpt time (%) = 0 (0)
Other time (%) = 0.000274658 (12.8414)
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 = 4.28247 Mbytes
Step Temp PotEng pe Press press
1850 0 -2213.2899 -2213.2899 -3395.9363 3395.9363
1860 1.8824787e-10 -2213.2899 -2213.2899 -3395.9362 3395.9362
1870 2.0640471e-09 -2213.2899 -2213.2899 -3395.9353 3395.9353
1880 1.0078864e-08 -2213.2899 -2213.2899 -3395.9315 3395.9315
1890 5.4187895e-08 -2213.2899 -2213.2899 -3395.9106 3395.9106
1900 2.1333467e-07 -2213.29 -2213.29 -3395.8344 3395.8344
1910 1.0180321e-06 -2213.2905 -2213.2905 -3395.451 3395.451
1920 3.7473827e-06 -2213.2921 -2213.2921 -3394.1659 3394.1659
1930 1.6063922e-05 -2213.2984 -2213.2984 -3389.3693 3389.3693
1940 3.595212e-05 -2213.3125 -2213.3125 -3388.4214 3388.4214
1950 4.0353056e-05 -2213.3322 -2213.3322 -3384.0285 3384.0285
1960 2.0900944e-06 -2213.3344 -2213.3344 -3381.443 3381.443
1970 8.2510451e-07 -2213.3348 -2213.3348 -3382.9771 3382.9771
1980 2.8071336e-06 -2213.3362 -2213.3362 -3382.318 3382.318
1990 9.8665818e-08 -2213.3369 -2213.3369 -3383.4363 3383.4363
2000 4.6254698e-08 -2213.337 -2213.337 -3383.3877 3383.3877
2010 3.4776093e-07 -2213.3372 -2213.3372 -3383.1535 3383.1535
2020 3.4956322e-07 -2213.3374 -2213.3374 -3383.747 3383.747
2030 6.9913967e-09 -2213.3374 -2213.3374 -3383.2284 3383.2284
2031 8.4510543e-09 -2213.3374 -2213.3374 -3383.3431 3383.3431
Loop time of 0.180184 on 1 procs for 181 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28985688 -2213.33738481 -2213.33738545
Force two-norm initial, final = 0.466853 0.00419611
Force max component initial, final = 0.0685554 0.000580546
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 181 181
Pair time (%) = 0.159552 (88.5492)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00146699 (0.814161)
Outpt time (%) = 0.00121593 (0.674829)
Other time (%) = 0.0179496 (9.9618)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2031 0 -2213.3374 -2213.3374 -3383.3431 3383.3431
2032 1.2331587e-16 -2213.3374 -2213.3374 -3383.3431 3383.3431
Loop time of 0.0021379 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738545 -2213.33738545 -2213.33738545
Force two-norm initial, final = 0.00419611 0.00419611
Force max component initial, final = 0.000580546 0.000580546
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00186181 (87.086)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.802944)
Outpt time (%) = 0 (0)
Other time (%) = 0.000258923 (12.1111)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1900 0 -2213.2887 -2213.2887 -3394.8138 3394.8138
1910 1.7905479e-10 -2213.2887 -2213.2887 -3394.8137 3394.8137
1920 1.9632476e-09 -2213.2887 -2213.2887 -3394.813 3394.813
1930 9.5866134e-09 -2213.2887 -2213.2887 -3394.81 3394.81
1940 5.1540259e-08 -2213.2887 -2213.2887 -3394.7933 3394.7933
1950 2.0289485e-07 -2213.2888 -2213.2888 -3394.7326 3394.7326
1960 9.6795888e-07 -2213.2893 -2213.2893 -3394.4269 3394.4269
1970 3.5664973e-06 -2213.2908 -2213.2908 -3393.3985 3393.3985
1980 1.5846645e-05 -2213.2971 -2213.2971 -3389.5309 3389.5309
1990 3.9202197e-05 -2213.3125 -2213.3125 -3388.6849 3388.6849
2000 4.172563e-05 -2213.3326 -2213.3326 -3383.6198 3383.6198
2010 2.0082097e-06 -2213.3343 -2213.3343 -3381.4971 3381.4971
2020 9.110794e-07 -2213.3348 -2213.3348 -3382.8342 3382.8342
2030 3.0346665e-06 -2213.3363 -2213.3363 -3382.3681 3382.3681
2040 8.8951148e-08 -2213.3369 -2213.3369 -3383.212 3383.212
2050 3.1480074e-07 -2213.3371 -2213.3371 -3383.9076 3383.9076
2060 5.3605268e-08 -2213.3373 -2213.3373 -3383.7598 3383.7598
2070 2.3357824e-08 -2213.3373 -2213.3373 -3383.296 3383.296
2080 1.1139111e-07 -2213.3373 -2213.3373 -3383.6227 3383.6227
2087 1.9494699e-08 -2213.3373 -2213.3373 -3383.4073 3383.4073
Loop time of 0.185696 on 1 procs for 187 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28870784 -2213.33734852 -2213.33734994
Force two-norm initial, final = 0.455311 0.0070539
Force max component initial, final = 0.0524376 0.000475323
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 187 187
Pair time (%) = 0.164719 (88.7034)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00148201 (0.798084)
Outpt time (%) = 0.00120521 (0.649021)
Other time (%) = 0.01829 (9.84946)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2087 0 -2213.3373 -2213.3373 -3383.4073 3383.4073
2088 3.48486e-16 -2213.3373 -2213.3373 -3383.4073 3383.4073
Loop time of 0.002141 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734994 -2213.33734994 -2213.33734994
Force two-norm initial, final = 0.0070539 0.0070539
Force max component initial, final = 0.000475323 0.000475323
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018568 (86.7261)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.790646)
Outpt time (%) = 0 (0)
Other time (%) = 0.000267267 (12.4833)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1700 0 -2213.3083 -2213.3083 -3384.0321 3384.0321
1710 1.5731887e-10 -2213.3083 -2213.3083 -3384.0321 3384.0321
1720 1.7248712e-09 -2213.3083 -2213.3083 -3384.0323 3384.0323
1730 8.4212867e-09 -2213.3083 -2213.3083 -3384.033 3384.033
1740 4.5239509e-08 -2213.3083 -2213.3083 -3384.0373 3384.0373
1750 1.7750749e-07 -2213.3084 -2213.3084 -3384.0529 3384.0529
1760 8.3420022e-07 -2213.3088 -2213.3088 -3384.129 3384.129
1770 2.8846365e-06 -2213.31 -2213.31 -3384.3554 3384.3554
1780 9.4000369e-06 -2213.3139 -2213.3139 -3384.7844 3384.7844
1790 1.706912e-05 -2213.321 -2213.321 -3383.9207 3383.9207
1800 2.5249069e-05 -2213.3324 -2213.3324 -3383.238 3383.238
1810 1.6751945e-06 -2213.3355 -2213.3355 -3384.0028 3384.0028
1820 6.8385236e-07 -2213.3358 -2213.3358 -3383.9163 3383.9163
1830 1.4873023e-06 -2213.3366 -2213.3366 -3383.62 3383.62
1840 5.2343858e-08 -2213.3371 -2213.3371 -3383.4586 3383.4586
1850 6.77409e-08 -2213.3372 -2213.3372 -3383.2543 3383.2543
1860 2.1331795e-07 -2213.3373 -2213.3373 -3383.3148 3383.3148
1870 1.4883088e-08 -2213.3373 -2213.3373 -3383.3886 3383.3886
1880 1.7248334e-08 -2213.3374 -2213.3374 -3383.4452 3383.4452
1882 2.2128494e-08 -2213.3374 -2213.3374 -3383.4331 3383.4331
Loop time of 0.178704 on 1 procs for 182 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3082919 -2213.33735691 -2213.33735809
Force two-norm initial, final = 0.426782 0.00849827
Force max component initial, final = 0.0429426 0.000694099
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 182 182
Pair time (%) = 0.159928 (89.493)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00146508 (0.819837)
Outpt time (%) = 0.00119638 (0.669478)
Other time (%) = 0.016115 (9.01768)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1882 0 -2213.3374 -2213.3374 -3383.4331 3383.4331
1883 5.0580924e-16 -2213.3374 -2213.3374 -3383.4331 3383.4331
Loop time of 0.00213003 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735809 -2213.33735809 -2213.33735809
Force two-norm initial, final = 0.00849827 0.00849827
Force max component initial, final = 0.000694099 0.000694099
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (86.904)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.749944)
Outpt time (%) = 0 (0)
Other time (%) = 0.000262976 (12.3461)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1750 0 -2213.3267 -2213.3267 -3384.6823 3384.6823
1760 5.4181076e-11 -2213.3267 -2213.3267 -3384.6823 3384.6823
1770 5.9404706e-10 -2213.3267 -2213.3267 -3384.6823 3384.6823
1780 2.900232e-09 -2213.3267 -2213.3267 -3384.6823 3384.6823
1790 1.5577952e-08 -2213.3267 -2213.3267 -3384.6819 3384.6819
1800 6.1095713e-08 -2213.3267 -2213.3267 -3384.6806 3384.6806
1810 2.8627467e-07 -2213.3269 -2213.3269 -3384.6735 3384.6735
1820 9.7657513e-07 -2213.3273 -2213.3273 -3384.6431 3384.6431
1830 2.9358374e-06 -2213.3285 -2213.3285 -3384.4605 3384.4605
1840 6.8184037e-06 -2213.3308 -2213.3308 -3384.4055 3384.4055
1850 1.4126718e-07 -2213.3335 -2213.3335 -3383.7913 3383.7913
1860 1.7006663e-06 -2213.3343 -2213.3343 -3383.7908 3383.7908
1870 1.2097303e-07 -2213.3361 -2213.3361 -3383.6149 3383.6149
1880 4.5578059e-09 -2213.3365 -2213.3365 -3383.5349 3383.5349
1890 3.1099048e-07 -2213.3366 -2213.3366 -3383.442 3383.442
1900 5.4670681e-09 -2213.337 -2213.337 -3383.3954 3383.3954
1910 1.904652e-07 -2213.3371 -2213.3371 -3383.4421 3383.4421
1920 2.728737e-08 -2213.3372 -2213.3372 -3383.4097 3383.4097
1930 1.3458873e-08 -2213.3373 -2213.3373 -3383.4043 3383.4043
1940 3.8934592e-08 -2213.3373 -2213.3373 -3383.407 3383.407
1950 1.3395187e-07 -2213.3373 -2213.3373 -3383.4021 3383.4021
Loop time of 0.199142 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.32670816 -2213.33732473 -2213.33733405
Force two-norm initial, final = 0.250461 0.0401254
Force max component initial, final = 0.0268979 0.00257163
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.175105 (87.9299)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00157237 (0.789573)
Outpt time (%) = 0.00132895 (0.667336)
Other time (%) = 0.0211353 (10.6132)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1950 0 -2213.3373 -2213.3373 -3383.4021 3383.4021
1960 1.3906083e-12 -2213.3373 -2213.3373 -3383.4021 3383.4021
1970 1.5246029e-11 -2213.3373 -2213.3373 -3383.4021 3383.4021
1980 7.4415595e-11 -2213.3373 -2213.3373 -3383.4021 3383.4021
1990 3.992098e-10 -2213.3373 -2213.3373 -3383.4021 3383.4021
2000 1.5578861e-09 -2213.3373 -2213.3373 -3383.4021 3383.4021
2010 7.1268411e-09 -2213.3373 -2213.3373 -3383.4021 3383.4021
2020 2.1958198e-08 -2213.3373 -2213.3373 -3383.4017 3383.4017
2030 2.0907843e-08 -2213.3374 -2213.3374 -3383.3962 3383.3962
2040 2.1122635e-08 -2213.3374 -2213.3374 -3383.3963 3383.3963
2050 3.086201e-08 -2213.3374 -2213.3374 -3383.3894 3383.3894
2060 5.1052333e-07 -2213.3373 -2213.3373 -3383.3668 3383.3668
2070 0.0021983566 -2211.6158 -2211.6158 -3132.1562 3132.1562
2080 0.0010030576 -2213.3349 -2213.3349 -3383.0481 3383.0481
2090 4.3264695e-05 -2213.3356 -2213.3356 -3383.0445 3383.0445
2100 2.442377e-05 -2213.3371 -2213.3371 -3383.3193 3383.3193
2110 7.6810688e-05 -2213.3313 -2213.3313 -3382.6127 3382.6127
2120 0.00052340408 -2213.3362 -2213.3362 -3383.2404 3383.2404
2130 7.2230496e-05 -2213.3248 -2213.3248 -3381.466 3381.466
2140 2.7149688e-06 -2213.2944 -2213.2944 -3377.2844 3377.2844
2150 0.00059443483 -2213.1226 -2213.1226 -3352.4931 3352.4931
Loop time of 0.200035 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33733405 -2212.95704562 -2213.12260669
Force two-norm initial, final = 0.0401254 3.95006
Force max component initial, final = 0.00257163 0.214944
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.174461 (87.2151)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00157928 (0.789504)
Outpt time (%) = 0.00134778 (0.673772)
Other time (%) = 0.0226471 (11.3216)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1800 0 -2213.2525 -2213.2525 -3392.9731 3392.9731
1810 4.4985883e-10 -2213.2525 -2213.2525 -3392.9731 3392.9731
1820 4.9323663e-09 -2213.2525 -2213.2525 -3392.9733 3392.9733
1830 2.4082271e-08 -2213.2525 -2213.2525 -3392.9741 3392.9741
1840 1.2939735e-07 -2213.2526 -2213.2526 -3392.9783 3392.9783
1850 5.0822107e-07 -2213.2528 -2213.2528 -3392.9935 3392.9935
1860 2.3966695e-06 -2213.2539 -2213.2539 -3393.065 3393.065
1870 8.3735354e-06 -2213.2575 -2213.2575 -3393.2384 3393.2384
1880 2.566314e-05 -2213.2679 -2213.2679 -3392.8371 3392.8371
1890 5.1068342e-05 -2213.2849 -2213.2849 -3389.5957 3389.5957
1900 9.6529303e-07 -2213.3077 -2213.3077 -3387.3359 3387.3359
1910 1.2157692e-05 -2213.3136 -2213.3136 -3386.1323 3386.1323
1920 3.0494319e-05 -2213.3339 -2213.3339 -3383.6939 3383.6939
1930 2.6621489e-07 -2213.3356 -2213.3356 -3383.2501 3383.2501
1940 1.0940607e-06 -2213.3362 -2213.3362 -3383.377 3383.377
1950 2.4149185e-07 -2213.3363 -2213.3363 -3383.4466 3383.4466
1960 7.4881104e-08 -2213.3367 -2213.3367 -3383.3708 3383.3708
1970 2.5424309e-08 -2213.3367 -2213.3367 -3383.4288 3383.4288
1980 2.4678315e-07 -2213.3369 -2213.3369 -3383.4002 3383.4002
1990 6.0771676e-07 -2213.3372 -2213.3372 -3383.3921 3383.3921
2000 1.2605414e-09 -2213.3373 -2213.3373 -3383.4053 3383.4053
Loop time of 0.200839 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.25247142 -2213.33728083 -2213.33728118
Force two-norm initial, final = 0.721695 0.0131731
Force max component initial, final = 0.09625 0.0011228
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.175102 (87.185)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00161171 (0.802488)
Outpt time (%) = 0.00134516 (0.669769)
Other time (%) = 0.0227807 (11.3427)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.3373 -2213.3373 -3383.4053 3383.4053
2010 1.4988181e-13 -2213.3373 -2213.3373 -3383.4053 3383.4053
2020 1.6434025e-12 -2213.3373 -2213.3373 -3383.4053 3383.4053
2030 8.025437e-12 -2213.3373 -2213.3373 -3383.4053 3383.4053
2040 4.3162629e-11 -2213.3373 -2213.3373 -3383.4053 3383.4053
2050 1.7020479e-10 -2213.3373 -2213.3373 -3383.4054 3383.4054
2060 8.1768741e-10 -2213.3373 -2213.3373 -3383.4059 3383.4059
2070 3.1082839e-09 -2213.3373 -2213.3373 -3383.4074 3383.4074
2080 1.4120787e-08 -2213.3373 -2213.3373 -3383.4121 3383.4121
2090 3.9795266e-08 -2213.3373 -2213.3373 -3383.4079 3383.4079
2100 1.0502164e-07 -2213.3374 -2213.3374 -3383.4002 3383.4002
2110 3.7862332e-08 -2213.3374 -2213.3374 -3383.3651 3383.3651
2120 4.8074438e-05 -2213.3142 -2213.3142 -3382.3105 3382.3105
2130 5.0141385e-05 -2213.2664 -2213.2664 -3373.0932 3373.0932
2140 6.5238623e-05 -2213.2793 -2213.2793 -3370.6102 3370.6102
2150 7.6103905e-05 -2213.3169 -2213.3169 -3383.6905 3383.6905
2160 3.3549338e-05 -2213.3236 -2213.3236 -3377.935 3377.935
2170 1.1486027e-05 -2213.3308 -2213.3308 -3382.5451 3382.5451
2180 1.1145424e-05 -2213.3343 -2213.3343 -3384.2057 3384.2057
2190 1.4109524e-05 -2213.337 -2213.337 -3384.121 3384.121
2200 2.2414997e-06 -2213.3372 -2213.3372 -3383.1497 3383.1497
Loop time of 0.24141 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33728118 -2213.33722327 -2213.33719181
Force two-norm initial, final = 0.0131731 0.116641
Force max component initial, final = 0.0011228 0.00928705
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.174086 (72.1122)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00159431 (0.660414)
Outpt time (%) = 0.00132823 (0.550197)
Other time (%) = 0.0644014 (26.6772)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1750 0 -2213.2325 -2213.2325 -3383.8766 3383.8766
1760 2.7616267e-10 -2213.2325 -2213.2325 -3383.8767 3383.8767
1770 3.027999e-09 -2213.2325 -2213.2325 -3383.8778 3383.8778
1780 1.4785943e-08 -2213.2325 -2213.2325 -3383.8826 3383.8826
1790 7.9499255e-08 -2213.2326 -2213.2326 -3383.9088 3383.9088
1800 3.1298337e-07 -2213.2327 -2213.2327 -3384.0044 3384.0044
1810 1.494469e-06 -2213.2334 -2213.2334 -3384.4834 3384.4834
1820 5.4648979e-06 -2213.2358 -2213.2358 -3386.0671 3386.0671
1830 2.1413301e-05 -2213.2453 -2213.2453 -3391.787 3391.787
1840 4.9124535e-05 -2213.2649 -2213.2649 -3393.3398 3393.3398
1850 0.00011651605 -2213.3176 -2213.3176 -3385.1453 3385.1453
1860 5.0035615e-07 -2213.3365 -2213.3365 -3383.4247 3383.4247
1870 1.9491807e-07 -2213.3368 -2213.3368 -3383.3753 3383.3753
1880 3.9286921e-07 -2213.337 -2213.337 -3383.3745 3383.3745
1890 3.3579645e-08 -2213.3372 -2213.3372 -3383.2569 3383.2569
1900 1.4973044e-08 -2213.3372 -2213.3372 -3383.3303 3383.3303
1910 1.1569344e-07 -2213.3373 -2213.3373 -3383.4368 3383.4368
1913 1.533903e-07 -2213.3373 -2213.3373 -3383.4036 3383.4036
Loop time of 0.163834 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.23252773 -2213.33732116 -2213.33733231
Force two-norm initial, final = 0.565454 0.00957009
Force max component initial, final = 0.0740597 0.000785422
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.143929 (87.8506)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00129771 (0.79209)
Outpt time (%) = 0.00105596 (0.644528)
Other time (%) = 0.0175512 (10.7128)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1913 0 -2213.3373 -2213.3373 -3383.4036 3383.4036
1920 3.2335153e-14 -2213.3373 -2213.3373 -3383.4036 3383.4036
1930 4.4652811e-13 -2213.3373 -2213.3373 -3383.4036 3383.4036
1940 2.6712539e-12 -2213.3373 -2213.3373 -3383.4036 3383.4036
1950 1.3502993e-11 -2213.3373 -2213.3373 -3383.4036 3383.4036
1960 5.9468046e-11 -2213.3373 -2213.3373 -3383.4036 3383.4036
1970 2.636778e-10 -2213.3373 -2213.3373 -3383.4036 3383.4036
1980 1.0992333e-09 -2213.3373 -2213.3373 -3383.4033 3383.4033
1990 4.6766816e-09 -2213.3373 -2213.3373 -3383.4021 3383.4021
2000 1.6632266e-08 -2213.3373 -2213.3373 -3383.3974 3383.3974
2010 4.8544209e-08 -2213.3374 -2213.3374 -3383.3875 3383.3875
2020 6.4104268e-12 -2213.3374 -2213.3374 -3383.3995 3383.3995
2030 2.685826e-10 -2213.3374 -2213.3374 -3383.3954 3383.3954
2040 3.6594936e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946
2050 1.6784142e-11 -2213.3374 -2213.3374 -3383.3947 3383.3947
2060 5.3185431e-11 -2213.3374 -2213.3374 -3383.3951 3383.3951
2070 1.1481825e-14 -2213.3374 -2213.3374 -3383.3947 3383.3947
2080 1.4340179e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946
2090 7.3026909e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946
2100 2.9789412e-14 -2213.3374 -2213.3374 -3383.3945 3383.3945
2110 6.1422901e-14 -2213.3374 -2213.3374 -3383.3946 3383.3946
2113 6.6880161e-14 -2213.3374 -2213.3374 -3383.3946 3383.3946
Loop time of 0.200194 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33733231 -2213.3373891 -2213.3373891
Force two-norm initial, final = 0.00957009 2.36789e-05
Force max component initial, final = 0.000785422 1.66827e-06
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.174287 (87.059)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00161147 (0.804954)
Outpt time (%) = 0.00139189 (0.695269)
Other time (%) = 0.0229037 (11.4407)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1800 0 -2213.2985 -2213.2985 -3389.6701 3389.6701
1810 8.1696449e-11 -2213.2985 -2213.2985 -3389.6701 3389.6701
1820 8.9575901e-10 -2213.2985 -2213.2985 -3389.6699 3389.6699
1830 4.3740158e-09 -2213.2985 -2213.2985 -3389.6691 3389.6691
1840 2.3514738e-08 -2213.2986 -2213.2986 -3389.6646 3389.6646
1850 9.2567712e-08 -2213.2986 -2213.2986 -3389.6484 3389.6484
1860 4.4114984e-07 -2213.2988 -2213.2988 -3389.566 3389.566
1870 1.6200351e-06 -2213.2995 -2213.2995 -3389.2786 3389.2786
1880 6.9267142e-06 -2213.3022 -2213.3022 -3388.0439 3388.0439
1890 2.3081563e-05 -2213.3101 -2213.3101 -3387.0324 3387.0324
1900 3.7686381e-07 -2213.3215 -2213.3215 -3385.2957 3385.2957
1910 6.5779148e-06 -2213.3246 -2213.3246 -3385.0295 3385.0295
1920 1.559642e-05 -2213.3355 -2213.3355 -3383.5908 3383.5908
1930 9.1749027e-08 -2213.3364 -2213.3364 -3383.4101 3383.4101
1940 5.2092457e-07 -2213.3367 -2213.3367 -3383.3617 3383.3617
1950 1.3577236e-07 -2213.3368 -2213.3368 -3383.3976 3383.3976
1960 3.749618e-08 -2213.337 -2213.337 -3383.3972 3383.3972
1970 1.4688763e-08 -2213.337 -2213.337 -3383.4057 3383.4057
1980 1.4045464e-07 -2213.3371 -2213.3371 -3383.4033 3383.4033
1990 3.1618777e-07 -2213.3373 -2213.3373 -3383.4029 3383.4029
2000 1.1600895e-09 -2213.3373 -2213.3373 -3383.3983 3383.3983
Loop time of 0.197562 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.29853768 -2213.3373398 -2213.33734011
Force two-norm initial, final = 0.307551 0.0110391
Force max component initial, final = 0.0277577 0.000865135
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.174895 (88.5266)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00160694 (0.813386)
Outpt time (%) = 0.00134611 (0.681362)
Other time (%) = 0.0197141 (9.9787)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.3373 -2213.3373 -3383.3983 3383.3983
2010 1.0525277e-13 -2213.3373 -2213.3373 -3383.3983 3383.3983
2020 1.1540241e-12 -2213.3373 -2213.3373 -3383.3983 3383.3983
2030 5.634758e-12 -2213.3373 -2213.3373 -3383.3983 3383.3983
2040 3.0281224e-11 -2213.3373 -2213.3373 -3383.3983 3383.3983
2050 1.1905129e-10 -2213.3373 -2213.3373 -3383.3984 3383.3984
2060 5.6383846e-10 -2213.3373 -2213.3373 -3383.3989 3383.3989
2070 2.0539566e-09 -2213.3373 -2213.3373 -3383.4006 3383.4006
2080 9.2583032e-09 -2213.3373 -2213.3373 -3383.4057 3383.4057
2089 1.5299626e-08 -2213.3374 -2213.3374 -3383.403 3383.403
Loop time of 0.0884271 on 1 procs for 89 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734011 -2213.33735017 -2213.33735125
Force two-norm initial, final = 0.0110391 0.00665603
Force max component initial, final = 0.000865135 0.000441733
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 89 89
Pair time (%) = 0.0783184 (88.5683)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000710249 (0.803203)
Outpt time (%) = 0.000539541 (0.610154)
Other time (%) = 0.00885892 (10.0183)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1850 0 -2213.2668 -2213.2668 -3393.1148 3393.1148
1860 1.9178452e-10 -2213.2668 -2213.2668 -3393.1148 3393.1148
1870 2.1028402e-09 -2213.2668 -2213.2668 -3393.1146 3393.1146
1880 1.0268807e-08 -2213.2668 -2213.2668 -3393.1137 3393.1137
1890 5.5220593e-08 -2213.2668 -2213.2668 -3393.1087 3393.1087
1900 2.1763423e-07 -2213.2669 -2213.2669 -3393.0906 3393.0906
1910 1.0423743e-06 -2213.2674 -2213.2674 -3392.9979 3392.9979
1920 3.8906985e-06 -2213.2691 -2213.2691 -3392.6656 3392.6656
1930 1.6155528e-05 -2213.2754 -2213.2754 -3391.0308 3391.0308
1940 3.9789193e-05 -2213.2892 -2213.2892 -3388.5847 3388.5847
1950 6.7339896e-07 -2213.3092 -2213.3092 -3386.5836 3386.5836
1960 1.1585091e-05 -2213.3147 -2213.3147 -3385.9282 3385.9282
1970 2.8000946e-05 -2213.3342 -2213.3342 -3383.7283 3383.7283
1980 5.0426962e-08 -2213.3358 -2213.3358 -3383.4542 3383.4542
1990 6.7466757e-07 -2213.3362 -2213.3362 -3383.4498 3383.4498
2000 2.0958369e-07 -2213.3364 -2213.3364 -3383.474 3383.474
2010 2.8819699e-08 -2213.3367 -2213.3367 -3383.4206 3383.4206
2020 1.9275226e-08 -2213.3368 -2213.3368 -3383.4409 3383.4409
2030 2.2717995e-07 -2213.3369 -2213.3369 -3383.4299 3383.4299
2040 5.3339255e-07 -2213.3372 -2213.3372 -3383.4059 3383.4059
2050 3.4693015e-08 -2213.3373 -2213.3373 -3383.3965 3383.3965
Loop time of 0.195968 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.26677965 -2213.33728802 -2213.33729312
Force two-norm initial, final = 0.471218 0.0108897
Force max component initial, final = 0.0964744 0.000753178
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.175083 (89.3427)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00161481 (0.824016)
Outpt time (%) = 0.00132465 (0.675954)
Other time (%) = 0.0179455 (9.15737)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.3373 -2213.3373 -3383.3965 3383.3965
2060 1.024242e-13 -2213.3373 -2213.3373 -3383.3965 3383.3965
2070 1.1230932e-12 -2213.3373 -2213.3373 -3383.3965 3383.3965
2080 5.4858189e-12 -2213.3373 -2213.3373 -3383.3965 3383.3965
2090 2.9536608e-11 -2213.3373 -2213.3373 -3383.3966 3383.3966
2100 1.1704588e-10 -2213.3373 -2213.3373 -3383.3967 3383.3967
2110 5.7427498e-10 -2213.3373 -2213.3373 -3383.3975 3383.3975
2120 2.3986645e-09 -2213.3373 -2213.3373 -3383.4 3383.4
2130 1.4907906e-08 -2213.3373 -2213.3373 -3383.4079 3383.4079
2139 3.0144818e-08 -2213.3373 -2213.3373 -3383.4044 3383.4044
Loop time of 0.0879011 on 1 procs for 89 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33729312 -2213.33731094 -2213.33731305
Force two-norm initial, final = 0.0108897 0.0094118
Force max component initial, final = 0.000753178 0.000604305
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 89 89
Pair time (%) = 0.0789642 (89.833)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000726938 (0.826995)
Outpt time (%) = 0.000527143 (0.599701)
Other time (%) = 0.0076828 (8.74028)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1800 0 -2213.3045 -2213.3045 -3397.6575 3397.6575
1810 1.3789873e-10 -2213.3045 -2213.3045 -3397.6573 3397.6573
1820 1.5119687e-09 -2213.3045 -2213.3045 -3397.6555 3397.6555
1830 7.3822813e-09 -2213.3046 -2213.3046 -3397.6479 3397.6479
1840 3.9672379e-08 -2213.3046 -2213.3046 -3397.6061 3397.6061
1850 1.5584463e-07 -2213.3046 -2213.3046 -3397.454 3397.454
1860 7.3731228e-07 -2213.305 -2213.305 -3396.6922 3396.6922
1870 2.5999041e-06 -2213.3062 -2213.3062 -3394.1846 3394.1846
1880 9.4383976e-06 -2213.3104 -2213.3104 -3385.4051 3385.4051
1890 2.4507641e-05 -2213.3202 -2213.3202 -3385.8815 3385.8815
1900 2.9298041e-05 -2213.3332 -2213.3332 -3384.8769 3384.8769
1910 9.343264e-07 -2213.336 -2213.336 -3388.2627 3388.2627
1920 1.1012718e-07 -2213.3368 -2213.3368 -3387.8022 3387.8022
1930 7.3638284e-07 -2213.3372 -2213.3372 -3382.6599 3382.6599
1940 8.368028e-08 -2213.3372 -2213.3372 -3381.3327 3381.3327
1950 4.4423763e-08 -2213.3373 -2213.3373 -3384.5657 3384.5657
1960 9.8981937e-08 -2213.3373 -2213.3373 -3382.55 3382.55
1970 2.2857223e-08 -2213.3374 -2213.3374 -3383.3043 3383.3043
1980 5.6675196e-08 -2213.3374 -2213.3374 -3383.8922 3383.8922
1987 4.6664832e-08 -2213.3374 -2213.3374 -3383.4113 3383.4113
Loop time of 0.185138 on 1 procs for 187 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30454791 -2213.33738473 -2213.33738595
Force two-norm initial, final = 0.399572 0.00529531
Force max component initial, final = 0.0884399 0.000362017
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 187 187
Pair time (%) = 0.164868 (89.0512)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00147223 (0.795209)
Outpt time (%) = 0.00119567 (0.645826)
Other time (%) = 0.0176024 (9.50774)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1987 0 -2213.3374 -2213.3374 -3383.4113 3383.4113
1988 1.9638524e-16 -2213.3374 -2213.3374 -3383.4113 3383.4113
Loop time of 0.0021112 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738595 -2213.33738595 -2213.33738595
Force two-norm initial, final = 0.00529531 0.00529531
Force max component initial, final = 0.000362017 0.000362017
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184822 (87.5438)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.767928)
Outpt time (%) = 0 (0)
Other time (%) = 0.000246763 (11.6883)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1850 0 -2213.3051 -2213.3051 -3384.6926 3384.6926
1860 2.2026309e-10 -2213.3051 -2213.3051 -3384.6926 3384.6926
1870 2.4150624e-09 -2213.3051 -2213.3051 -3384.6926 3384.6926
1880 1.1792606e-08 -2213.3051 -2213.3051 -3384.6928 3384.6928
1890 6.339174e-08 -2213.3052 -2213.3052 -3384.6935 3384.6935
1900 2.4944746e-07 -2213.3053 -2213.3053 -3384.6962 3384.6962
1910 1.186355e-06 -2213.3059 -2213.3059 -3384.709 3384.709
1920 4.290202e-06 -2213.3077 -2213.3077 -3384.7429 3384.7429
1930 1.4826669e-05 -2213.3136 -2213.3136 -3384.7602 3384.7602
1940 2.2481867e-05 -2213.3214 -2213.3214 -3385.0949 3385.0949
1950 4.0524628e-07 -2213.3288 -2213.3288 -3383.5473 3383.5473
1960 3.5871254e-06 -2213.3306 -2213.3306 -3384.2575 3384.2575
1970 8.7880566e-06 -2213.3362 -2213.3362 -3383.4953 3383.4953
1980 1.1300848e-07 -2213.3368 -2213.3368 -3383.663 3383.663
1990 3.9126046e-07 -2213.337 -2213.337 -3383.4452 3383.4452
2000 8.0326881e-08 -2213.3371 -2213.3371 -3383.3704 3383.3704
2010 4.4603497e-08 -2213.3372 -2213.3372 -3383.4713 3383.4713
2020 1.1371976e-08 -2213.3372 -2213.3372 -3383.3986 3383.3986
2030 8.030194e-08 -2213.3372 -2213.3372 -3383.4319 3383.4319
2040 2.0007017e-07 -2213.3373 -2213.3373 -3383.4241 3383.4241
2050 1.0606066e-09 -2213.3374 -2213.3374 -3383.4012 3383.4012
Loop time of 0.198935 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.30513354 -2213.33735395 -2213.33735423
Force two-norm initial, final = 0.504994 0.0115915
Force max component initial, final = 0.0723078 0.000901001
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.175213 (88.0754)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00159216 (0.800341)
Outpt time (%) = 0.00132751 (0.667311)
Other time (%) = 0.0208025 (10.4569)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.3374 -2213.3374 -3383.4012 3383.4012
2060 1.1604997e-13 -2213.3374 -2213.3374 -3383.4012 3383.4012
2070 1.2723638e-12 -2213.3374 -2213.3374 -3383.4012 3383.4012
2080 6.2113659e-12 -2213.3374 -2213.3374 -3383.4012 3383.4012
2090 3.3349207e-11 -2213.3374 -2213.3374 -3383.4012 3383.4012
2100 1.3056858e-10 -2213.3374 -2213.3374 -3383.4011 3383.4011
2110 6.0715199e-10 -2213.3374 -2213.3374 -3383.4007 3383.4007
2120 2.0118502e-09 -2213.3374 -2213.3374 -3383.3994 3383.3994
2130 5.2957628e-09 -2213.3374 -2213.3374 -3383.3945 3383.3945
2140 1.2981866e-08 -2213.3374 -2213.3374 -3383.3961 3383.3961
2145 2.2198235e-08 -2213.3374 -2213.3374 -3383.3982 3383.3982
Loop time of 0.0939829 on 1 procs for 95 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735423 -2213.33736794 -2213.33736963
Force two-norm initial, final = 0.0115915 0.00485617
Force max component initial, final = 0.000901001 0.000347963
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 95 95
Pair time (%) = 0.0837173 (89.0772)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000761032 (0.809756)
Outpt time (%) = 0.000595093 (0.633192)
Other time (%) = 0.00890946 (9.47987)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1900 0 -2213.2658 -2213.2658 -3391.3565 3391.3565
1910 1.0105859e-10 -2213.2658 -2213.2658 -3391.3565 3391.3565
1920 1.108104e-09 -2213.2658 -2213.2658 -3391.3564 3391.3564
1930 5.4121505e-09 -2213.2658 -2213.2658 -3391.356 3391.356
1940 2.9129062e-08 -2213.2658 -2213.2658 -3391.3538 3391.3538
1950 1.1521998e-07 -2213.2659 -2213.2659 -3391.3458 3391.3458
1960 5.6094395e-07 -2213.2662 -2213.2662 -3391.3051 3391.3051
1970 2.2380833e-06 -2213.2671 -2213.2671 -3391.1637 3391.1637
1980 1.2288612e-05 -2213.2718 -2213.2718 -3390.5339 3390.5339
1990 4.195964e-05 -2213.2866 -2213.2866 -3389.4403 3389.4403
2000 6.8471773e-07 -2213.3075 -2213.3075 -3387.0807 3387.0807
2010 1.2186703e-05 -2213.3133 -2213.3133 -3386.1121 3386.1121
2020 3.0677768e-05 -2213.3341 -2213.3341 -3383.752 3383.752
2030 4.6946048e-08 -2213.3358 -2213.3358 -3383.5559 3383.5559
2040 6.7897931e-07 -2213.3362 -2213.3362 -3383.4213 3383.4213
2050 2.0617284e-07 -2213.3364 -2213.3364 -3383.4287 3383.4287
2060 2.940899e-08 -2213.3367 -2213.3367 -3383.4607 3383.4607
2070 1.9463565e-08 -2213.3368 -2213.3368 -3383.4467 3383.4467
2080 2.3539723e-07 -2213.3369 -2213.3369 -3383.4281 3383.4281
2090 6.2044379e-07 -2213.3372 -2213.3372 -3383.4143 3383.4143
2100 1.481043e-09 -2213.3373 -2213.3373 -3383.4113 3383.4113
Loop time of 0.193761 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.26583146 -2213.33728753 -2213.33728788
Force two-norm initial, final = 0.342059 0.0109453
Force max component initial, final = 0.0408205 0.000748566
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.175138 (90.3885)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00160098 (0.826265)
Outpt time (%) = 0.00133228 (0.687591)
Other time (%) = 0.0156901 (8.09765)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.3373 -2213.3373 -3383.4113 3383.4113
2110 1.0347368e-13 -2213.3373 -2213.3373 -3383.4113 3383.4113
2120 1.1345759e-12 -2213.3373 -2213.3373 -3383.4113 3383.4113
2130 5.5410221e-12 -2213.3373 -2213.3373 -3383.4113 3383.4113
2140 2.9814664e-11 -2213.3373 -2213.3373 -3383.4113 3383.4113
2150 1.1772809e-10 -2213.3373 -2213.3373 -3383.4113 3383.4113
2160 5.6999421e-10 -2213.3373 -2213.3373 -3383.4112 3383.4112
2170 2.1915876e-09 -2213.3373 -2213.3373 -3383.4108 3383.4108
2180 1.0434534e-08 -2213.3373 -2213.3373 -3383.409 3383.409
2190 3.639196e-08 -2213.3373 -2213.3373 -3383.4048 3383.4048
2195 6.9013979e-08 -2213.3373 -2213.3373 -3383.401 3383.401
Loop time of 0.0928531 on 1 procs for 95 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33728788 -2213.33732456 -2213.33732961
Force two-norm initial, final = 0.0109453 0.00832137
Force max component initial, final = 0.000748566 0.000533858
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 95 95
Pair time (%) = 0.0839596 (90.422)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00076437 (0.823204)
Outpt time (%) = 0.000600338 (0.646546)
Other time (%) = 0.00752878 (8.10827)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1850 0 -2213.2261 -2213.2261 -3403.6123 3403.6123
1860 2.1446465e-10 -2213.2261 -2213.2261 -3403.6121 3403.6121
1870 2.3515185e-09 -2213.2261 -2213.2261 -3403.6104 3403.6104
1880 1.1483042e-08 -2213.2262 -2213.2262 -3403.6027 3403.6027
1890 6.1748941e-08 -2213.2262 -2213.2262 -3403.5608 3403.5608
1900 2.4329687e-07 -2213.2263 -2213.2263 -3403.4083 3403.4083
1910 1.1652553e-06 -2213.2269 -2213.2269 -3402.6418 3402.6418
1920 4.3581266e-06 -2213.2287 -2213.2287 -3400.0857 3400.0857
1930 1.9961784e-05 -2213.2368 -2213.2368 -3390.8335 3390.8335
1940 5.5562233e-05 -2213.2597 -2213.2597 -3390.5052 3390.5052
1950 0.00012121921 -2213.3164 -2213.3164 -3386.3664 3386.3664
1960 1.9399983e-06 -2213.3348 -2213.3348 -3381.5741 3381.5741
1970 5.5093686e-07 -2213.3353 -2213.3353 -3384.8396 3384.8396
1980 1.7670948e-06 -2213.3361 -2213.3361 -3383.9243 3383.9243
1990 1.323005e-07 -2213.3371 -2213.3371 -3381.4938 3381.4938
2000 2.8490521e-08 -2213.3371 -2213.3371 -3383.8648 3383.8648
2010 1.5269199e-07 -2213.3372 -2213.3372 -3383.5592 3383.5592
2020 7.0633386e-09 -2213.3373 -2213.3373 -3383.0802 3383.0802
2029 4.2502865e-08 -2213.3373 -2213.3373 -3383.4605 3383.4605
Loop time of 0.178432 on 1 procs for 179 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.22614687 -2213.33732444 -2213.33732986
Force two-norm initial, final = 0.498302 0.00859783
Force max component initial, final = 0.055075 0.000570062
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 179 179
Pair time (%) = 0.158396 (88.7708)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00140953 (0.789954)
Outpt time (%) = 0.00113034 (0.633486)
Other time (%) = 0.0174966 (9.80575)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2029 0 -2213.3373 -2213.3373 -3383.4605 3383.4605
2030 5.1773025e-16 -2213.3373 -2213.3373 -3383.4605 3383.4605
Loop time of 0.00240016 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33732986 -2213.33732986 -2213.33732986
Force two-norm initial, final = 0.00859783 0.00859783
Force max component initial, final = 0.000570062 0.000570062
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0019989 (83.282)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.705275)
Outpt time (%) = 0 (0)
Other time (%) = 0.000384331 (16.0127)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1900 0 -2213.2799 -2213.2799 -3383.5967 3383.5967
1910 1.0381572e-09 -2213.2799 -2213.2799 -3383.5968 3383.5968
1920 1.1382172e-08 -2213.2799 -2213.2799 -3383.598 3383.598
1930 5.5562089e-08 -2213.2799 -2213.2799 -3383.6034 3383.6034
1940 2.9823986e-07 -2213.2801 -2213.2801 -3383.633 3383.633
1950 1.1663696e-06 -2213.2806 -2213.2806 -3383.7399 3383.7399
1960 5.393638e-06 -2213.2832 -2213.2832 -3384.2605 3384.2605
1970 1.7284441e-05 -2213.2906 -2213.2906 -3385.7989 3385.7989
1980 3.1838986e-05 -2213.3043 -2213.3043 -3388.798 3388.798
1990 3.6856345e-05 -2213.3154 -2213.3154 -3386.4784 3386.4784
2000 1.6366631e-06 -2213.3265 -2213.3265 -3386.3952 3386.3952
2010 6.1431314e-06 -2213.3296 -2213.3296 -3384.3651 3384.3651
2020 5.9238067e-07 -2213.333 -2213.333 -3383.9873 3383.9873
2030 3.3279917e-06 -2213.3346 -2213.3346 -3384.1181 3384.1181
2040 6.1258087e-07 -2213.3349 -2213.3349 -3383.7016 3383.7016
2050 2.1491186e-06 -2213.3361 -2213.3361 -3383.498 3383.498
2060 1.7726033e-07 -2213.3371 -2213.3371 -3383.2659 3383.2659
2070 6.7732213e-08 -2213.3371 -2213.3371 -3383.5038 3383.5038
2080 3.3226473e-07 -2213.3372 -2213.3372 -3383.5866 3383.5866
2090 2.141833e-08 -2213.3373 -2213.3373 -3383.3395 3383.3395
2100 6.5561672e-08 -2213.3373 -2213.3373 -3383.3998 3383.3998
Loop time of 0.197681 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.27987891 -2213.33731575 -2213.33732177
Force two-norm initial, final = 1.09635 0.00983111
Force max component initial, final = 0.107427 0.000754018
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.175369 (88.713)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00162721 (0.823148)
Outpt time (%) = 0.00134349 (0.679625)
Other time (%) = 0.0193415 (9.78418)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.3373 -2213.3373 -3383.3998 3383.3998
2110 8.34786e-14 -2213.3373 -2213.3373 -3383.3998 3383.3998
2120 9.1530262e-13 -2213.3373 -2213.3373 -3383.3998 3383.3998
2130 4.4693465e-12 -2213.3373 -2213.3373 -3383.3998 3383.3998
2140 2.402784e-11 -2213.3373 -2213.3373 -3383.3998 3383.3998
2150 9.4527302e-11 -2213.3373 -2213.3373 -3383.3998 3383.3998
2160 4.505991e-10 -2213.3373 -2213.3373 -3383.4 3383.4
2167 1.1108202e-09 -2213.3373 -2213.3373 -3383.4003 3383.4003
Loop time of 0.0667078 on 1 procs for 67 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33732177 -2213.33732238 -2213.33732246
Force two-norm initial, final = 0.00983111 0.00937293
Force max component initial, final = 0.000754018 0.000697445
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 67 67
Pair time (%) = 0.0593133 (88.915)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000550032 (0.824538)
Outpt time (%) = 0.000397205 (0.59544)
Other time (%) = 0.00644732 (9.665)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1950 0 -2213.2898 -2213.2898 -3389.0679 3389.0679
1960 1.713558e-10 -2213.2898 -2213.2898 -3389.0679 3389.0679
1970 1.8788566e-09 -2213.2898 -2213.2898 -3389.0679 3389.0679
1980 9.1752714e-09 -2213.2898 -2213.2898 -3389.0677 3389.0677
1990 4.9346385e-08 -2213.2899 -2213.2899 -3389.067 3389.067
2000 1.9459024e-07 -2213.29 -2213.29 -3389.0643 3389.0643
2010 9.3412389e-07 -2213.2904 -2213.2904 -3389.0498 3389.0498
2020 3.5132504e-06 -2213.2919 -2213.2919 -3388.9919 3388.9919
2030 1.4359122e-05 -2213.2975 -2213.2975 -3388.5821 3388.5821
2040 2.8176757e-05 -2213.3073 -2213.3073 -3387.4111 3387.4111
2050 5.339469e-07 -2213.3202 -2213.3202 -3385.866 3385.866
2060 7.2828017e-06 -2213.3237 -2213.3237 -3385.1269 3385.1269
2070 1.7118655e-05 -2213.3354 -2213.3354 -3383.5502 3383.5502
2080 4.1656697e-08 -2213.3364 -2213.3364 -3383.4496 3383.4496
2090 4.5491551e-07 -2213.3367 -2213.3367 -3383.3372 3383.3372
2100 1.3374278e-07 -2213.3368 -2213.3368 -3383.3241 3383.3241
2110 2.4238374e-08 -2213.337 -2213.337 -3383.4247 3383.4247
2120 1.2988983e-08 -2213.337 -2213.337 -3383.3899 3383.3899
2130 1.4191512e-07 -2213.3371 -2213.3371 -3383.3975 3383.3975
2140 3.2223992e-07 -2213.3373 -2213.3373 -3383.4215 3383.4215
2150 7.8053625e-10 -2213.3373 -2213.3373 -3383.4186 3383.4186
Loop time of 0.194623 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.28983178 -2213.33734072 -2213.33734093
Force two-norm initial, final = 0.445414 0.00925575
Force max component initial, final = 0.105566 0.00072048
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.174852 (89.8413)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00157714 (0.810356)
Outpt time (%) = 0.00135136 (0.694346)
Other time (%) = 0.0168426 (8.65396)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.3373 -2213.3373 -3383.4186 3383.4186
2160 7.3993461e-14 -2213.3373 -2213.3373 -3383.4186 3383.4186
2170 8.1131084e-13 -2213.3373 -2213.3373 -3383.4186 3383.4186
2180 3.96199e-12 -2213.3373 -2213.3373 -3383.4186 3383.4186
2190 2.1307719e-11 -2213.3373 -2213.3373 -3383.4185 3383.4185
2200 8.4037221e-11 -2213.3373 -2213.3373 -3383.4184 3383.4184
2210 4.0375e-10 -2213.3373 -2213.3373 -3383.4177 3383.4177
2220 1.5627578e-09 -2213.3373 -2213.3373 -3383.4154 3383.4154
2230 8.8161046e-09 -2213.3373 -2213.3373 -3383.4065 3383.4065
2239 1.5063443e-08 -2213.3374 -2213.3374 -3383.4034 3383.4034
Loop time of 0.0877039 on 1 procs for 89 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734093 -2213.33735046 -2213.33735151
Force two-norm initial, final = 0.00925575 0.00661725
Force max component initial, final = 0.00072048 0.00043371
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 89 89
Pair time (%) = 0.0789332 (89.9996)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000721931 (0.823146)
Outpt time (%) = 0.000532866 (0.607573)
Other time (%) = 0.00751591 (8.56963)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.2064 -2213.2064 -3397.8372 3397.8372
2010 6.4821489e-10 -2213.2064 -2213.2064 -3397.8372 3397.8372
2020 7.1073242e-09 -2213.2064 -2213.2064 -3397.8372 3397.8372
2030 3.4704894e-08 -2213.2064 -2213.2064 -3397.8371 3397.8371
2040 1.8656376e-07 -2213.2065 -2213.2065 -3397.8365 3397.8365
2050 7.3424672e-07 -2213.2069 -2213.2069 -3397.8341 3397.8341
2060 3.4940902e-06 -2213.2085 -2213.2085 -3397.8172 3397.8172
2070 1.2669119e-05 -2213.2139 -2213.2139 -3397.7017 3397.7017
2080 4.3972296e-05 -2213.2315 -2213.2315 -3396.1939 3396.1939
2090 7.0471086e-05 -2213.2554 -2213.2554 -3391.4548 3391.4548
2100 1.7427366e-06 -2213.29 -2213.29 -3388.4296 3388.4296
2110 1.9545717e-05 -2213.2996 -2213.2996 -3387.3889 3387.3889
2120 4.9933523e-05 -2213.3319 -2213.3319 -3383.8775 3383.8775
2130 6.39707e-07 -2213.3348 -2213.3348 -3383.611 3383.611
2140 1.9931749e-06 -2213.3356 -2213.3356 -3383.4698 3383.4698
2150 3.9216902e-07 -2213.3359 -2213.3359 -3383.5042 3383.5042
2160 3.1671937e-07 -2213.3364 -2213.3364 -3383.4531 3383.4531
2170 7.1661639e-08 -2213.3364 -2213.3364 -3383.4689 3383.4689
2180 3.7865548e-07 -2213.3367 -2213.3367 -3383.4632 3383.4632
2190 8.5481389e-07 -2213.3371 -2213.3371 -3383.4335 3383.4335
2200 1.2887326e-08 -2213.3373 -2213.3373 -3383.3811 3383.3811
Loop time of 0.194431 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.20642056 -2213.33725308 -2213.33725653
Force two-norm initial, final = 0.866312 0.0353853
Force max component initial, final = 0.239549 0.00262634
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.175208 (90.113)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00161314 (0.829672)
Outpt time (%) = 0.00134444 (0.691475)
Other time (%) = 0.0162659 (8.36588)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.3373 -2213.3373 -3383.3811 3383.3811
2210 1.0814642e-12 -2213.3373 -2213.3373 -3383.3811 3383.3811
2220 1.1856879e-11 -2213.3373 -2213.3373 -3383.3811 3383.3811
2230 5.787768e-11 -2213.3373 -2213.3373 -3383.3811 3383.3811
2240 3.1060816e-10 -2213.3373 -2213.3373 -3383.3813 3383.3813
2250 1.2141091e-09 -2213.3373 -2213.3373 -3383.3817 3383.3817
2260 5.5967347e-09 -2213.3373 -2213.3373 -3383.3842 3383.3842
2270 1.7947236e-08 -2213.3373 -2213.3373 -3383.392 3383.392
2280 3.2836742e-08 -2213.3373 -2213.3373 -3383.4145 3383.4145
2290 4.8519918e-08 -2213.3373 -2213.3373 -3383.4032 3383.4032
2296 7.549393e-08 -2213.3373 -2213.3373 -3383.4049 3383.4049
Loop time of 0.0933979 on 1 procs for 96 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33725653 -2213.33732016 -2213.33732671
Force two-norm initial, final = 0.0353853 0.00872384
Force max component initial, final = 0.00262634 0.000615553
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 96 96
Pair time (%) = 0.0846906 (90.6772)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000774145 (0.828868)
Outpt time (%) = 0.000597715 (0.639967)
Other time (%) = 0.00733542 (7.85395)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.2905 -2213.2905 -3385.4857 3385.4857
2060 2.8461311e-10 -2213.2905 -2213.2905 -3385.4857 3385.4857
2070 3.120491e-09 -2213.2906 -2213.2906 -3385.4864 3385.4864
2080 1.5233782e-08 -2213.2906 -2213.2906 -3385.4892 3385.4892
2090 8.1799558e-08 -2213.2906 -2213.2906 -3385.5047 3385.5047
2100 3.203926e-07 -2213.2907 -2213.2907 -3385.5609 3385.5609
2110 1.4922339e-06 -2213.2915 -2213.2915 -3385.8393 3385.8393
2120 4.9531612e-06 -2213.2936 -2213.2936 -3386.7193 3386.7193
2130 1.2711591e-05 -2213.2988 -2213.2988 -3389.2498 3389.2498
2140 2.9431366e-05 -2213.3087 -2213.3087 -3387.7032 3387.7032
2150 6.9337618e-07 -2213.3215 -2213.3215 -3385.7291 3385.7291
2160 6.929416e-06 -2213.3248 -2213.3248 -3385.1246 3385.1246
2170 1.7240574e-05 -2213.3351 -2213.3351 -3383.3606 3383.3606
2180 1.5254387e-06 -2213.3359 -2213.3359 -3382.932 3382.932
2190 3.6262192e-07 -2213.3363 -2213.3363 -3383.4234 3383.4234
2200 2.0609253e-07 -2213.3365 -2213.3365 -3383.1848 3383.1848
2210 1.3227823e-06 -2213.3369 -2213.3369 -3383.3032 3383.3032
2220 1.3913442e-08 -2213.337 -2213.337 -3383.4096 3383.4096
2230 8.1946071e-08 -2213.3371 -2213.3371 -3383.3805 3383.3805
2240 3.1433675e-07 -2213.3372 -2213.3372 -3383.3828 3383.3828
2250 3.2214989e-10 -2213.3373 -2213.3373 -3383.3942 3383.3942
Loop time of 0.194381 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.29054963 -2213.33732721 -2213.33732721
Force two-norm initial, final = 0.574041 0.0206004
Force max component initial, final = 0.0611461 0.00137398
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.17474 (89.8955)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00157905 (0.812346)
Outpt time (%) = 0.0013423 (0.690549)
Other time (%) = 0.0167198 (8.60157)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.3373 -2213.3373 -3383.3942 3383.3942
2260 3.6653885e-13 -2213.3373 -2213.3373 -3383.3942 3383.3942
2270 4.0186165e-12 -2213.3373 -2213.3373 -3383.3942 3383.3942
2280 1.9615585e-11 -2213.3373 -2213.3373 -3383.3942 3383.3942
2290 1.0525615e-10 -2213.3373 -2213.3373 -3383.3943 3383.3943
2300 4.1107547e-10 -2213.3373 -2213.3373 -3383.3944 3383.3944
2310 1.889623e-09 -2213.3373 -2213.3373 -3383.3952 3383.3952
2320 5.9187958e-09 -2213.3373 -2213.3373 -3383.3976 3383.3976
2330 1.0578615e-08 -2213.3373 -2213.3373 -3383.4045 3383.4045
2340 2.3193292e-08 -2213.3373 -2213.3373 -3383.4006 3383.4006
2350 5.0529618e-08 -2213.3374 -2213.3374 -3383.3981 3383.3981
2360 2.6345889e-08 -2213.3373 -2213.3373 -3383.3519 3383.3519
2370 8.329852e-07 -2213.2458 -2213.2458 -3371.0802 3371.0802
2380 0.00034681995 -2213.3102 -2213.3102 -3379.5239 3379.5239
2390 3.7759605e-06 -2213.2137 -2213.2137 -3364.3153 3364.3153
2400 1.875264e-05 -2213.2875 -2213.2875 -3376.9009 3376.9009
2410 2.0858518e-05 -2213.2983 -2213.2983 -3376.9628 3376.9628
2420 2.2126614e-05 -2213.3316 -2213.3316 -3382.5885 3382.5885
2430 8.0869167e-06 -2213.3303 -2213.3303 -3382.5864 3382.5864
2440 3.6751765e-05 -2213.3366 -2213.3366 -3383.3942 3383.3942
2450 2.4169356e-06 -2213.3368 -2213.3368 -3383.25 3383.25
Loop time of 0.236382 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33732721 -2213.33692292 -2213.33682524
Force two-norm initial, final = 0.0206004 0.20242
Force max component initial, final = 0.00137398 0.0100039
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.174387 (73.7734)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00159097 (0.673049)
Outpt time (%) = 0.00133657 (0.56543)
Other time (%) = 0.0590675 (24.9881)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1950 0 -2213.2565 -2213.2565 -3397.7829 3397.7829
1960 4.5847133e-10 -2213.2565 -2213.2565 -3397.7828 3397.7828
1970 5.0267342e-09 -2213.2565 -2213.2565 -3397.782 3397.782
1980 2.4541548e-08 -2213.2565 -2213.2565 -3397.7786 3397.7786
1990 1.3182426e-07 -2213.2566 -2213.2566 -3397.7598 3397.7598
2000 5.1712254e-07 -2213.2568 -2213.2568 -3397.6912 3397.6912
2010 2.4252052e-06 -2213.2579 -2213.2579 -3397.3396 3397.3396
2020 8.3370411e-06 -2213.2615 -2213.2615 -3396.0767 3396.0767
2030 2.4139315e-05 -2213.2706 -2213.2706 -3390.1679 3390.1679
2040 3.4931905e-05 -2213.2849 -2213.2849 -3388.403 3388.403
2050 6.51502e-05 -2213.3189 -2213.3189 -3381.5842 3381.5842
2060 4.7891252e-06 -2213.3341 -2213.3341 -3384.6781 3384.6781
2070 3.5791697e-07 -2213.3344 -2213.3344 -3383.5005 3383.5005
2080 1.4454788e-06 -2213.3352 -2213.3352 -3383.4547 3383.4547
2090 5.924399e-09 -2213.3369 -2213.3369 -3383.6249 3383.6249
2100 2.6528983e-08 -2213.3369 -2213.3369 -3383.4572 3383.4572
2110 2.6538309e-07 -2213.3371 -2213.3371 -3383.4244 3383.4244
2120 1.3196446e-08 -2213.3372 -2213.3372 -3383.4171 3383.4171
2130 7.293591e-09 -2213.3372 -2213.3372 -3383.4137 3383.4137
2140 4.6658696e-08 -2213.3372 -2213.3372 -3383.4109 3383.4109
2147 1.3569338e-07 -2213.3373 -2213.3373 -3383.4053 3383.4053
Loop time of 0.194966 on 1 procs for 197 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.25647364 -2213.33729376 -2213.33730534
Force two-norm initial, final = 0.728571 0.00993779
Force max component initial, final = 0.0742721 0.000724303
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 197 197
Pair time (%) = 0.173587 (89.0346)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00158262 (0.811743)
Outpt time (%) = 0.00127721 (0.655093)
Other time (%) = 0.0185189 (9.49854)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2147 0 -2213.3373 -2213.3373 -3383.4053 3383.4053
2148 6.9168102e-16 -2213.3373 -2213.3373 -3383.4053 3383.4053
Loop time of 0.00213385 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33730534 -2213.33730534 -2213.33730534
Force two-norm initial, final = 0.00993779 0.00993779
Force max component initial, final = 0.000724303 0.000724303
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185776 (87.0615)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.703911)
Outpt time (%) = 0 (0)
Other time (%) = 0.000261068 (12.2346)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.2902 -2213.2902 -3394.6352 3394.6352
2010 1.7354678e-10 -2213.2902 -2213.2902 -3394.6351 3394.6351
2020 1.902868e-09 -2213.2902 -2213.2902 -3394.6344 3394.6344
2030 9.292189e-09 -2213.2902 -2213.2902 -3394.6314 3394.6314
2040 4.9966829e-08 -2213.2903 -2213.2903 -3394.6151 3394.6151
2050 1.9689038e-07 -2213.2904 -2213.2904 -3394.5555 3394.5555
2060 9.42777e-07 -2213.2908 -2213.2908 -3394.2553 3394.2553
2070 3.5406748e-06 -2213.2923 -2213.2923 -3393.2387 3393.2387
2080 1.6485544e-05 -2213.2985 -2213.2985 -3389.3211 3389.3211
2090 3.1081052e-05 -2213.312 -2213.312 -3388.2204 3388.2204
2100 3.7671126e-05 -2213.3316 -2213.3316 -3382.947 3382.947
2110 1.2752964e-06 -2213.3343 -2213.3343 -3382.3002 3382.3002
2120 5.6631017e-07 -2213.3348 -2213.3348 -3382.3822 3382.3822
2130 2.3414652e-06 -2213.336 -2213.336 -3382.7376 3382.7376
2140 4.5643614e-08 -2213.337 -2213.337 -3383.2514 3383.2514
2150 2.4445516e-08 -2213.337 -2213.337 -3383.2458 3383.2458
2160 2.1855036e-07 -2213.3371 -2213.3371 -3383.303 3383.303
2170 3.4728824e-10 -2213.3373 -2213.3373 -3383.4177 3383.4177
2180 1.8293568e-09 -2213.3373 -2213.3373 -3383.4228 3383.4228
Loop time of 0.175266 on 1 procs for 180 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.2902385 -2213.33733416 -2213.33733448
Force two-norm initial, final = 0.448253 0.00834302
Force max component initial, final = 0.0537995 0.000670857
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 180 180
Pair time (%) = 0.158526 (90.449)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00144911 (0.826805)
Outpt time (%) = 0.00112915 (0.644249)
Other time (%) = 0.0141613 (8.07992)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2180 0 -2213.3373 -2213.3373 -3383.4228 3383.4228
2181 4.8749841e-16 -2213.3373 -2213.3373 -3383.4228 3383.4228
Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733448 -2213.33733448 -2213.33733448
Force two-norm initial, final = 0.00834302 0.00834302
Force max component initial, final = 0.000670857 0.000670857
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184727 (89.0268)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.815811)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210762 (10.1574)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.29 -2213.29 -3393.8152 3393.8152
2060 1.819033e-10 -2213.29 -2213.29 -3393.8151 3393.8151
2070 1.9945061e-09 -2213.29 -2213.29 -3393.8146 3393.8146
2080 9.7399861e-09 -2213.29 -2213.29 -3393.8121 3393.8121
2090 5.238303e-08 -2213.29 -2213.29 -3393.7987 3393.7987
2100 2.0654353e-07 -2213.2901 -2213.2901 -3393.75 3393.75
2110 9.9178865e-07 -2213.2906 -2213.2906 -3393.5041 3393.5041
2120 3.758434e-06 -2213.2922 -2213.2922 -3392.672 3392.672
2130 1.7562911e-05 -2213.2988 -2213.2988 -3389.4309 3389.4309
2140 3.0151592e-05 -2213.3119 -2213.3119 -3388.1017 3388.1017
2150 3.7066233e-05 -2213.3314 -2213.3314 -3383.4507 3383.4507
2160 1.2676042e-06 -2213.3344 -2213.3344 -3382.2041 3382.2041
2170 5.432351e-07 -2213.3349 -2213.3349 -3382.4056 3382.4056
2180 2.2375066e-06 -2213.336 -2213.336 -3382.7911 3382.7911
2190 3.6218696e-08 -2213.337 -2213.337 -3383.2216 3383.2216
2200 2.4502056e-08 -2213.337 -2213.337 -3383.2525 3383.2525
2210 2.2397811e-07 -2213.3371 -2213.3371 -3383.3152 3383.3152
2220 2.782875e-10 -2213.3373 -2213.3373 -3383.4212 3383.4212
2230 1.4101193e-09 -2213.3373 -2213.3373 -3383.4199 3383.4199
2240 1.5325548e-08 -2213.3373 -2213.3373 -3383.4162 3383.4162
2243 2.3868013e-08 -2213.3373 -2213.3373 -3383.4133 3383.4133
Loop time of 0.189391 on 1 procs for 193 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29001156 -2213.33734215 -2213.33734451
Force two-norm initial, final = 0.458918 0.0072655
Force max component initial, final = 0.0754693 0.000482963
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 193 193
Pair time (%) = 0.169959 (89.74)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00154042 (0.813356)
Outpt time (%) = 0.00126338 (0.667075)
Other time (%) = 0.0166278 (8.77961)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2243 0 -2213.3373 -2213.3373 -3383.4133 3383.4133
2244 3.6970624e-16 -2213.3373 -2213.3373 -3383.4133 3383.4133
Loop time of 0.00212622 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734451 -2213.33734451 -2213.33734451
Force two-norm initial, final = 0.0072655 0.0072655
Force max component initial, final = 0.000482963 0.000482963
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184894 (86.959)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.75129)
Outpt time (%) = 0 (0)
Other time (%) = 0.000261307 (12.2898)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.2798 -2213.2798 -3389.2266 3389.2266
2010 1.6900041e-10 -2213.2798 -2213.2798 -3389.2266 3389.2266
2020 1.8529929e-09 -2213.2798 -2213.2798 -3389.2266 3389.2266
2030 9.0478996e-09 -2213.2798 -2213.2798 -3389.2269 3389.2269
2040 4.8634894e-08 -2213.2798 -2213.2798 -3389.2284 3389.2284
2050 1.9130823e-07 -2213.2799 -2213.2799 -3389.2338 3389.2338
2060 9.0929011e-07 -2213.2804 -2213.2804 -3389.2591 3389.2591
2070 3.2902906e-06 -2213.2818 -2213.2818 -3389.3195 3389.3195
2080 1.2602496e-05 -2213.287 -2213.287 -3389.1567 3389.1567
2090 2.6494358e-05 -2213.2982 -2213.2982 -3387.645 3387.645
2100 5.8913017e-05 -2213.3255 -2213.3255 -3384.2991 3384.2991
2110 5.3383143e-07 -2213.3365 -2213.3365 -3381.8633 3381.8633
2120 2.7516227e-07 -2213.337 -2213.337 -3383.4858 3383.4858
2130 3.0685186e-08 -2213.337 -2213.337 -3383.2154 3383.2154
2140 1.8459846e-07 -2213.3371 -2213.3371 -3383.4685 3383.4685
2150 2.9977355e-07 -2213.3373 -2213.3373 -3383.6046 3383.6046
2160 3.1050634e-10 -2213.3374 -2213.3374 -3383.4096 3383.4096
2170 9.3861243e-09 -2213.3374 -2213.3374 -3383.4173 3383.4173
2174 1.8074449e-08 -2213.3374 -2213.3374 -3383.4157 3383.4157
Loop time of 0.168254 on 1 procs for 174 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27981778 -2213.33736257 -2213.33736454
Force two-norm initial, final = 0.442343 0.00613572
Force max component initial, final = 0.046303 0.000612808
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 174 174
Pair time (%) = 0.152937 (90.8965)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00136757 (0.8128)
Outpt time (%) = 0.00113297 (0.673365)
Other time (%) = 0.0128164 (7.6173)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2174 0 -2213.3374 -2213.3374 -3383.4157 3383.4157
2175 2.6366789e-16 -2213.3374 -2213.3374 -3383.4157 3383.4157
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 =
-2213.33736454 -2213.33736454 -2213.33736454
Force two-norm initial, final = 0.00613572 0.00613572
Force max component initial, final = 0.000612808 0.000612808
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (89.2516)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.781699)
Outpt time (%) = 0 (0)
Other time (%) = 0.000206709 (9.96666)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.2902 -2213.2902 -3394.0514 3394.0514
2060 1.8064258e-10 -2213.2902 -2213.2902 -3394.0513 3394.0513
2070 1.9806698e-09 -2213.2902 -2213.2902 -3394.0507 3394.0507
2080 9.6720053e-09 -2213.2902 -2213.2902 -3394.0481 3394.0481
2090 5.2007919e-08 -2213.2902 -2213.2902 -3394.0338 3394.0338
2100 2.0487298e-07 -2213.2903 -2213.2903 -3393.9816 3393.9816
2110 9.8015015e-07 -2213.2908 -2213.2908 -3393.7188 3393.7188
2120 3.6355688e-06 -2213.2923 -2213.2923 -3392.8356 3392.8356
2130 1.5007023e-05 -2213.2986 -2213.2986 -3389.4914 3389.4914
2140 3.0441544e-05 -2213.3114 -2213.3114 -3388.2017 3388.2017
2150 4.4556822e-05 -2213.332 -2213.332 -3384.1483 3384.1483
2160 1.3284783e-06 -2213.3347 -2213.3347 -3381.9323 3381.9323
2170 4.7539494e-07 -2213.3351 -2213.3351 -3382.4053 3382.4053
2180 2.1467239e-06 -2213.3362 -2213.3362 -3382.7644 3382.7644
2190 8.0408005e-09 -2213.3372 -2213.3372 -3384.3251 3384.3251
2200 2.7110776e-08 -2213.3372 -2213.3372 -3383.5547 3383.5547
2210 1.9668534e-07 -2213.3373 -2213.3373 -3383.4074 3383.4074
2220 1.0534325e-08 -2213.3374 -2213.3374 -3383.502 3383.502
2221 1.2541729e-08 -2213.3374 -2213.3374 -3383.4377 3383.4377
Loop time of 0.166324 on 1 procs for 171 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29017544 -2213.33736654 -2213.33736744
Force two-norm initial, final = 0.457325 0.00599828
Force max component initial, final = 0.0722144 0.000690766
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 171 171
Pair time (%) = 0.150861 (90.7029)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00137019 (0.823809)
Outpt time (%) = 0.00112605 (0.677023)
Other time (%) = 0.0129671 (7.7963)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2221 0 -2213.3374 -2213.3374 -3383.4377 3383.4377
2222 2.5198764e-16 -2213.3374 -2213.3374 -3383.4377 3383.4377
Loop time of 0.00206304 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736744 -2213.33736744 -2213.33736744
Force two-norm initial, final = 0.00599828 0.00599828
Force max component initial, final = 0.000690766 0.000690766
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184894 (89.6221)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.832081)
Outpt time (%) = 0 (0)
Other time (%) = 0.000196934 (9.54582)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.2888 -2213.2888 -3392.2863 3392.2863
2110 2.0043131e-10 -2213.2888 -2213.2888 -3392.2863 3392.2863
2120 2.1976483e-09 -2213.2888 -2213.2888 -3392.286 3392.286
2130 1.0731633e-08 -2213.2888 -2213.2888 -3392.2847 3392.2847
2140 5.7707934e-08 -2213.2888 -2213.2888 -3392.2776 3392.2776
2150 2.2735936e-07 -2213.2889 -2213.2889 -3392.2516 3392.2516
2160 1.0884063e-06 -2213.2895 -2213.2895 -3392.1202 3392.1202
2170 4.0407669e-06 -2213.2912 -2213.2912 -3391.6713 3391.6713
2180 1.6431358e-05 -2213.298 -2213.298 -3389.8199 3389.8199
2190 3.0894869e-05 -2213.311 -2213.311 -3388.1446 3388.1446
2200 4.5104439e-05 -2213.3318 -2213.3318 -3384.2536 3384.2536
2210 1.1501685e-06 -2213.3347 -2213.3347 -3382.0453 3382.0453
2220 4.2448163e-07 -2213.3353 -2213.3353 -3382.536 3382.536
2230 1.7130529e-06 -2213.3363 -2213.3363 -3382.6746 3382.6746
2240 3.1012712e-08 -2213.3372 -2213.3372 -3382.8441 3382.8441
2250 1.5953642e-08 -2213.3372 -2213.3372 -3383.4384 3383.4384
2260 1.1864548e-07 -2213.3373 -2213.3373 -3383.3934 3383.3934
2270 1.4894063e-07 -2213.3374 -2213.3374 -3383.6237 3383.6237
2274 9.807791e-09 -2213.3374 -2213.3374 -3383.4485 3383.4485
Loop time of 0.172789 on 1 procs for 174 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28880437 -2213.33736737 -2213.33736866
Force two-norm initial, final = 0.481723 0.0059152
Force max component initial, final = 0.0941874 0.000644359
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 174 174
Pair time (%) = 0.154062 (89.1616)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00139546 (0.807611)
Outpt time (%) = 0.00114989 (0.665489)
Other time (%) = 0.0161822 (9.36528)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2274 0 -2213.3374 -2213.3374 -3383.4485 3383.4485
2280 8.8220159e-15 -2213.3374 -2213.3374 -3383.4485 3383.4485
2290 1.356909e-13 -2213.3374 -2213.3374 -3383.4485 3383.4485
2300 8.8033995e-13 -2213.3374 -2213.3374 -3383.4485 3383.4485
2310 4.3453768e-12 -2213.3374 -2213.3374 -3383.4484 3383.4484
2320 1.9931281e-11 -2213.3374 -2213.3374 -3383.4481 3383.4481
2330 8.5468152e-11 -2213.3374 -2213.3374 -3383.4467 3383.4467
2340 3.6593196e-10 -2213.3374 -2213.3374 -3383.441 3383.441
2342 4.7231441e-10 -2213.3374 -2213.3374 -3383.439 3383.439
Loop time of 0.0679121 on 1 procs for 68 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736866 -2213.33736892 -2213.33736895
Force two-norm initial, final = 0.0059152 0.00571671
Force max component initial, final = 0.000644359 0.000623861
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 68 68
Pair time (%) = 0.0604737 (89.047)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00056386 (0.830279)
Outpt time (%) = 0.000468254 (0.6895)
Other time (%) = 0.00640631 (9.43323)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.2721 -2213.2721 -3386.4848 3386.4848
2060 1.2619501e-10 -2213.2721 -2213.2721 -3386.4848 3386.4848
2070 1.3836837e-09 -2213.2721 -2213.2721 -3386.485 3386.485
2080 6.7569002e-09 -2213.2721 -2213.2721 -3386.4858 3386.4858
2090 3.6337677e-08 -2213.2721 -2213.2721 -3386.49 3386.49
2100 1.4317491e-07 -2213.2722 -2213.2722 -3386.5052 3386.5052
2110 6.8648453e-07 -2213.2725 -2213.2725 -3386.5807 3386.5807
2120 2.5484547e-06 -2213.2736 -2213.2736 -3386.8193 3386.8193
2130 1.086157e-05 -2213.2785 -2213.2785 -3387.4886 3387.4886
2140 3.1387113e-05 -2213.2917 -2213.2917 -3386.3683 3386.3683
2150 7.8019562e-05 -2213.3252 -2213.3252 -3385.0537 3385.0537
2160 3.9053041e-07 -2213.3359 -2213.3359 -3384.0678 3384.0678
2170 2.3274295e-07 -2213.3363 -2213.3363 -3384.2072 3384.2072
2180 1.1086168e-06 -2213.3368 -2213.3368 -3383.925 3383.925
2190 3.5799935e-09 -2213.3373 -2213.3373 -3383.3859 3383.3859
2200 1.1195874e-08 -2213.3373 -2213.3373 -3383.1627 3383.1627
2210 3.1930276e-09 -2213.3374 -2213.3374 -3383.2588 3383.2588
2211 4.2350633e-09 -2213.3374 -2213.3374 -3383.2525 3383.2525
Loop time of 0.161482 on 1 procs for 161 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27206669 -2213.33735533 -2213.33735588
Force two-norm initial, final = 0.38224 0.00976121
Force max component initial, final = 0.0342368 0.000796186
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 161 161
Pair time (%) = 0.142424 (88.1979)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00130057 (0.805399)
Outpt time (%) = 0.00107884 (0.66809)
Other time (%) = 0.0166788 (10.3286)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2211 0 -2213.3374 -2213.3374 -3383.2525 3383.2525
2212 6.6731893e-16 -2213.3374 -2213.3374 -3383.2525 3383.2525
Loop time of 0.00207686 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735588 -2213.33735588 -2213.33735588
Force two-norm initial, final = 0.00976121 0.00976121
Force max component initial, final = 0.000796186 0.000796186
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184822 (88.9909)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.757663)
Outpt time (%) = 0 (0)
Other time (%) = 0.000212908 (10.2514)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.2998 -2213.2998 -3387.8305 3387.8305
2110 2.1755649e-10 -2213.2998 -2213.2998 -3387.8305 3387.8305
2120 2.3853182e-09 -2213.2998 -2213.2998 -3387.8306 3387.8306
2130 1.1645465e-08 -2213.2998 -2213.2998 -3387.8306 3387.8306
2140 6.2553356e-08 -2213.2998 -2213.2998 -3387.8311 3387.8311
2150 2.4529924e-07 -2213.2999 -2213.2999 -3387.8327 3387.8327
2160 1.1501354e-06 -2213.3005 -2213.3005 -3387.8384 3387.8384
2170 3.9140331e-06 -2213.3022 -2213.3022 -3387.8269 3387.8269
2180 1.1269248e-05 -2213.3071 -2213.3071 -3387.3524 3387.3524
2190 2.0883522e-05 -2213.3154 -2213.3154 -3386.3354 3386.3354
2200 3.5567557e-05 -2213.3307 -2213.3307 -3383.7407 3383.7407
2210 1.614157e-06 -2213.3363 -2213.3363 -3382.4118 3382.4118
2220 2.2144753e-07 -2213.3369 -2213.3369 -3382.9566 3382.9566
2230 6.604572e-07 -2213.3372 -2213.3372 -3383.1373 3383.1373
2240 1.7206081e-08 -2213.3373 -2213.3373 -3383.41 3383.41
2250 1.9305506e-08 -2213.3374 -2213.3374 -3383.5132 3383.5132
2259 4.2869824e-08 -2213.3374 -2213.3374 -3383.445 3383.445
Loop time of 0.157414 on 1 procs for 159 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29978928 -2213.33738045 -2213.33738356
Force two-norm initial, final = 0.501882 0.00499487
Force max component initial, final = 0.0831585 0.000512733
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 159 159
Pair time (%) = 0.140592 (89.3132)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0012691 (0.806218)
Outpt time (%) = 0.00102282 (0.649761)
Other time (%) = 0.0145307 (9.23084)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2259 0 -2213.3374 -2213.3374 -3383.445 3383.445
2260 1.747331e-16 -2213.3374 -2213.3374 -3383.445 3383.445
Loop time of 0.00219893 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738356 -2213.33738356 -2213.33738356
Force two-norm initial, final = 0.00499487 0.00499487
Force max component initial, final = 0.000512733 0.000512733
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00198174 (90.1225)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.769815)
Outpt time (%) = 0 (0)
Other time (%) = 0.000200272 (9.10767)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.2996 -2213.2996 -3383.6945 3383.6945
2160 2.5134948e-10 -2213.2996 -2213.2996 -3383.6946 3383.6946
2170 2.7557833e-09 -2213.2996 -2213.2996 -3383.6954 3383.6954
2180 1.3453046e-08 -2213.2996 -2213.2996 -3383.6987 3383.6987
2190 7.2232457e-08 -2213.2996 -2213.2996 -3383.7169 3383.7169
2200 2.8278681e-07 -2213.2998 -2213.2998 -3383.783 3383.783
2210 1.3154751e-06 -2213.3004 -2213.3004 -3384.1107 3384.1107
2220 4.3418487e-06 -2213.3023 -2213.3023 -3385.1491 3385.1491
2230 1.1108835e-05 -2213.3071 -2213.3071 -3388.1827 3388.1827
2240 2.2368097e-05 -2213.316 -2213.316 -3386.9861 3386.9861
2250 3.7733566e-05 -2213.3321 -2213.3321 -3383.1782 3383.1782
2260 5.1242554e-06 -2213.3359 -2213.3359 -3382.6102 3382.6102
2270 5.6119192e-07 -2213.3361 -2213.3361 -3382.4589 3382.4589
2280 1.1728387e-06 -2213.3366 -2213.3366 -3382.7278 3382.7278
2290 1.5858785e-06 -2213.3369 -2213.3369 -3382.2709 3382.2709
2300 2.3647448e-08 -2213.3373 -2213.3373 -3383.6513 3383.6513
2310 8.9515218e-08 -2213.3373 -2213.3373 -3383.6859 3383.6859
2317 6.4845223e-09 -2213.3374 -2213.3374 -3383.3993 3383.3993
Loop time of 0.163387 on 1 procs for 167 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29958221 -2213.33736698 -2213.33736817
Force two-norm initial, final = 0.539455 0.00925729
Force max component initial, final = 0.0621745 0.000808434
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 167 167
Pair time (%) = 0.147129 (90.0494)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00134826 (0.825193)
Outpt time (%) = 0.00107765 (0.659571)
Other time (%) = 0.0138321 (8.46586)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2317 0 -2213.3374 -2213.3374 -3383.3993 3383.3993
2318 6.0019713e-16 -2213.3374 -2213.3374 -3383.3993 3383.3993
Loop time of 0.00207615 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736817 -2213.33736817 -2213.33736817
Force two-norm initial, final = 0.00925729 0.00925729
Force max component initial, final = 0.000808434 0.000808434
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018487 (89.0446)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.815342)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210524 (10.1401)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.292 -2213.292 -3387.1767 3387.1767
2110 1.1938726e-10 -2213.292 -2213.292 -3387.1767 3387.1767
2120 1.3090119e-09 -2213.292 -2213.292 -3387.1767 3387.1767
2130 6.3915367e-09 -2213.292 -2213.292 -3387.1767 3387.1767
2140 3.4354098e-08 -2213.292 -2213.292 -3387.177 3387.177
2150 1.3504058e-07 -2213.2921 -2213.2921 -3387.178 3387.178
2160 6.4097834e-07 -2213.2924 -2213.2924 -3387.1824 3387.1824
2170 2.2869434e-06 -2213.2934 -2213.2934 -3387.1904 3387.1904
2180 8.744053e-06 -2213.2974 -2213.2974 -3387.1447 3387.1447
2190 2.4271251e-05 -2213.3076 -2213.3076 -3386.8066 3386.8066
2200 4.9365464e-05 -2213.3287 -2213.3287 -3384.2044 3384.2044
2210 8.3869821e-07 -2213.337 -2213.337 -3383.2384 3383.2384
2220 1.2081684e-07 -2213.3372 -2213.3372 -3383.3321 3383.3321
2230 2.1528307e-07 -2213.3373 -2213.3373 -3383.3869 3383.3869
2240 4.000674e-08 -2213.3373 -2213.3373 -3383.2947 3383.2947
2250 1.8253537e-08 -2213.3374 -2213.3374 -3383.3921 3383.3921
2260 2.2172798e-08 -2213.3374 -2213.3374 -3383.4445 3383.4445
2267 5.2514706e-09 -2213.3374 -2213.3374 -3383.3826 3383.3826
Loop time of 0.161479 on 1 procs for 167 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29197462 -2213.33738334 -2213.33738426
Force two-norm initial, final = 0.371787 0.0074964
Force max component initial, final = 0.0378451 0.000590821
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 167 167
Pair time (%) = 0.146873 (90.9546)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00132537 (0.820769)
Outpt time (%) = 0.00106001 (0.656438)
Other time (%) = 0.0122211 (7.56823)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2267 0 -2213.3374 -2213.3374 -3383.3826 3383.3826
2268 3.9357931e-16 -2213.3374 -2213.3374 -3383.3826 3383.3826
Loop time of 0.00207305 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738426 -2213.33738426 -2213.33738426
Force two-norm initial, final = 0.0074964 0.0074964
Force max component initial, final = 0.000590821 0.000590821
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184894 (89.1892)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.770558)
Outpt time (%) = 0 (0)
Other time (%) = 0.000208139 (10.0403)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.2897 -2213.2897 -3388.0824 3388.0824
2160 7.5667231e-11 -2213.2897 -2213.2897 -3388.0824 3388.0824
2170 8.2966112e-10 -2213.2897 -2213.2897 -3388.0824 3388.0824
2180 4.0513425e-09 -2213.2897 -2213.2897 -3388.0824 3388.0824
2190 2.1785029e-08 -2213.2897 -2213.2897 -3388.0827 3388.0827
2200 8.578196e-08 -2213.2898 -2213.2898 -3388.0838 3388.0838
2210 4.1040272e-07 -2213.29 -2213.29 -3388.089 3388.089
2220 1.5076617e-06 -2213.2907 -2213.2907 -3388.102 3388.102
2230 6.3251838e-06 -2213.2936 -2213.2936 -3388.0752 3388.0752
2240 1.9315267e-05 -2213.3017 -2213.3017 -3387.3207 3387.3207
2250 6.137661e-05 -2213.3272 -2213.3272 -3384.61 3384.61
2260 2.0777759e-07 -2213.3372 -2213.3372 -3383.3045 3383.3045
2270 3.6124175e-08 -2213.3372 -2213.3372 -3383.6502 3383.6502
2280 1.6046512e-08 -2213.3373 -2213.3373 -3383.3832 3383.3832
2290 4.2453986e-08 -2213.3373 -2213.3373 -3383.4415 3383.4415
2300 9.6157244e-08 -2213.3374 -2213.3374 -3383.4752 3383.4752
2307 5.4837696e-08 -2213.3374 -2213.3374 -3383.396 3383.396
Loop time of 0.152832 on 1 procs for 157 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28972971 -2213.33737707 -2213.3373827
Force two-norm initial, final = 0.295984 0.0054
Force max component initial, final = 0.0346455 0.00042327
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 157 157
Pair time (%) = 0.138704 (90.7556)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00126481 (0.827582)
Outpt time (%) = 0.000992537 (0.64943)
Other time (%) = 0.0118711 (7.76742)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2307 0 -2213.3374 -2213.3374 -3383.396 3383.396
2308 2.042271e-16 -2213.3374 -2213.3374 -3383.396 3383.396
Loop time of 0.00214696 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373827 -2213.3373827 -2213.3373827
Force two-norm initial, final = 0.0054 0.0054
Force max component initial, final = 0.00042327 0.00042327
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184917 (86.1299)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.799556)
Outpt time (%) = 0 (0)
Other time (%) = 0.000280619 (13.0705)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.2777 -2213.2777 -3383.074 3383.074
2210 2.2784146e-10 -2213.2777 -2213.2777 -3383.0741 3383.0741
2220 2.4980833e-09 -2213.2777 -2213.2777 -3383.0751 3383.0751
2230 1.2195914e-08 -2213.2777 -2213.2777 -3383.0795 3383.0795
2240 6.5508964e-08 -2213.2778 -2213.2778 -3383.1034 3383.1034
2250 2.5684572e-07 -2213.2779 -2213.2779 -3383.1901 3383.1901
2260 1.2038583e-06 -2213.2785 -2213.2785 -3383.6221 3383.6221
2270 4.0843854e-06 -2213.2803 -2213.2803 -3385.0106 3385.0106
2280 1.1939748e-05 -2213.2856 -2213.2856 -3389.3626 3389.3626
2290 2.6435582e-05 -2213.2963 -2213.2963 -3387.9686 3387.9686
2300 6.8103171e-05 -2213.3253 -2213.3253 -3384.0194 3384.0194
2310 2.0528733e-06 -2213.3369 -2213.3369 -3383.1831 3383.1831
2320 2.3720349e-07 -2213.3371 -2213.3371 -3383.2984 3383.2984
2330 3.1025386e-07 -2213.3372 -2213.3372 -3383.3906 3383.3906
2340 6.4778553e-07 -2213.3372 -2213.3372 -3383.4241 3383.4241
2350 1.1859921e-08 -2213.3374 -2213.3374 -3383.4075 3383.4075
2357 2.5218909e-08 -2213.3374 -2213.3374 -3383.419 3383.419
Loop time of 0.154384 on 1 procs for 157 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27772946 -2213.33736658 -2213.33736987
Force two-norm initial, final = 0.513608 0.00964374
Force max component initial, final = 0.122736 0.000836295
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 157 157
Pair time (%) = 0.139555 (90.3948)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00125289 (0.811542)
Outpt time (%) = 0.000991344 (0.642129)
Other time (%) = 0.0125847 (8.15155)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2357 0 -2213.3374 -2213.3374 -3383.419 3383.419
2358 6.5135351e-16 -2213.3374 -2213.3374 -3383.419 3383.419
Loop time of 0.00209785 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736987 -2213.33736987 -2213.33736987
Force two-norm initial, final = 0.00964374 0.00964374
Force max component initial, final = 0.000836295 0.000836295
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00186491 (88.8965)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.76145)
Outpt time (%) = 0 (0)
Other time (%) = 0.000216961 (10.3421)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.2067 -2213.2067 -3392.9048 3392.9048
2160 5.3853547e-10 -2213.2067 -2213.2067 -3392.9048 3392.9048
2170 5.904725e-09 -2213.2067 -2213.2067 -3392.905 3392.905
2180 2.8831222e-08 -2213.2068 -2213.2068 -3392.9061 3392.9061
2190 1.5496546e-07 -2213.2068 -2213.2068 -3392.9117 3392.9117
2200 6.092021e-07 -2213.2071 -2213.2071 -3392.9319 3392.9319
2210 2.8907332e-06 -2213.2085 -2213.2085 -3393.0318 3393.0318
2220 1.0286243e-05 -2213.2131 -2213.2131 -3393.3432 3393.3432
2230 3.5693244e-05 -2213.2288 -2213.2288 -3394.1288 3394.1288
2240 5.6702839e-05 -2213.2511 -2213.2511 -3392.9304 3392.9304
2250 0.00013295998 -2213.3121 -2213.3121 -3385.2548 3385.2548
2260 1.1234965e-06 -2213.3362 -2213.3362 -3382.8413 3382.8413
2270 1.6471607e-07 -2213.3369 -2213.3369 -3383.1809 3383.1809
2280 3.6499402e-07 -2213.3371 -2213.3371 -3383.3254 3383.3254
2290 1.8737819e-08 -2213.3373 -2213.3373 -3383.4193 3383.4193
2300 9.402844e-08 -2213.3373 -2213.3373 -3383.4201 3383.4201
2310 2.1573708e-08 -2213.3374 -2213.3374 -3383.3922 3383.3922
2320 2.5686528e-08 -2213.3374 -2213.3374 -3383.4296 3383.4296
2330 1.4354148e-10 -2213.3374 -2213.3374 -3383.3963 3383.3963
2334 7.4082997e-10 -2213.3374 -2213.3374 -3383.3955 3383.3955
Loop time of 0.178537 on 1 procs for 184 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.20674529 -2213.33738028 -2213.33738039
Force two-norm initial, final = 0.789627 0.00417051
Force max component initial, final = 0.123951 0.000472641
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 184 184
Pair time (%) = 0.162097 (90.7917)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00145698 (0.816063)
Outpt time (%) = 0.00119543 (0.66957)
Other time (%) = 0.0137877 (7.72262)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2334 0 -2213.3374 -2213.3374 -3383.3955 3383.3955
2340 4.3853733e-15 -2213.3374 -2213.3374 -3383.3955 3383.3955
2350 6.7450888e-14 -2213.3374 -2213.3374 -3383.3955 3383.3955
2360 4.3759308e-13 -2213.3374 -2213.3374 -3383.3955 3383.3955
2370 2.1596347e-12 -2213.3374 -2213.3374 -3383.3955 3383.3955
2380 9.8967911e-12 -2213.3374 -2213.3374 -3383.3955 3383.3955
2390 4.2309269e-11 -2213.3374 -2213.3374 -3383.3954 3383.3954
2400 1.7824831e-10 -2213.3374 -2213.3374 -3383.3953 3383.3953
2410 6.8998424e-10 -2213.3374 -2213.3374 -3383.3949 3383.3949
2420 2.3390526e-09 -2213.3374 -2213.3374 -3383.3943 3383.3943
2430 6.4000454e-09 -2213.3374 -2213.3374 -3383.3965 3383.3965
2440 5.6743029e-09 -2213.3374 -2213.3374 -3383.3956 3383.3956
2450 3.0443393e-11 -2213.3374 -2213.3374 -3383.3937 3383.3937
2460 1.844034e-11 -2213.3374 -2213.3374 -3383.3954 3383.3954
2470 3.8711599e-12 -2213.3374 -2213.3374 -3383.3949 3383.3949
2480 5.1067187e-12 -2213.3374 -2213.3374 -3383.3945 3383.3945
2490 2.3816184e-13 -2213.3374 -2213.3374 -3383.3945 3383.3945
2500 1.7909435e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946
2510 5.7025949e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946
2520 2.2820907e-15 -2213.3374 -2213.3374 -3383.3946 3383.3946
2530 9.4193307e-14 -2213.3374 -2213.3374 -3383.3946 3383.3946
2534 1.5685761e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946
Loop time of 0.193662 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33738039 -2213.3373891 -2213.3373891
Force two-norm initial, final = 0.00417051 1.43068e-05
Force max component initial, final = 0.000472641 1.02309e-06
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.174654 (90.1848)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00161481 (0.833829)
Outpt time (%) = 0.00140166 (0.723768)
Other time (%) = 0.0159919 (8.25765)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.2835 -2213.2835 -3384.5423 3384.5423
2210 1.93982e-10 -2213.2835 -2213.2835 -3384.5424 3384.5424
2220 2.1268502e-09 -2213.2835 -2213.2835 -3384.543 3384.543
2230 1.0383704e-08 -2213.2835 -2213.2835 -3384.5456 3384.5456
2240 5.5779481e-08 -2213.2835 -2213.2835 -3384.5598 3384.5598
2250 2.1878604e-07 -2213.2836 -2213.2836 -3384.6116 3384.6116
2260 1.0272297e-06 -2213.2841 -2213.2841 -3384.8693 3384.8693
2270 3.5191903e-06 -2213.2857 -2213.2857 -3385.6966 3385.6966
2280 1.110367e-05 -2213.2906 -2213.2906 -3388.3242 3388.3242
2290 2.6094981e-05 -2213.3011 -2213.3011 -3388.1686 3388.1686
2300 6.3306989e-05 -2213.3272 -2213.3272 -3383.6684 3383.6684
2310 2.4103839e-06 -2213.3364 -2213.3364 -3382.4776 3382.4776
2320 4.6444278e-07 -2213.3369 -2213.3369 -3383.0553 3383.0553
2330 5.9922816e-07 -2213.3371 -2213.3371 -3383.2018 3383.2018
2340 1.4048064e-07 -2213.3372 -2213.3372 -3382.9945 3382.9945
2350 3.764856e-08 -2213.3372 -2213.3372 -3383.1261 3383.1261
2360 1.5366102e-07 -2213.3373 -2213.3373 -3383.1959 3383.1959
2363 2.0525588e-07 -2213.3373 -2213.3373 -3383.3708 3383.3708
Loop time of 0.158804 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28349281 -2213.3373308 -2213.33734424
Force two-norm initial, final = 0.47391 0.00972614
Force max component initial, final = 0.0556212 0.000827919
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.14381 (90.5581)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0013144 (0.827688)
Outpt time (%) = 0.00107527 (0.677104)
Other time (%) = 0.0126045 (7.93713)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2363 0 -2213.3373 -2213.3373 -3383.3708 3383.3708
2364 6.6253267e-16 -2213.3373 -2213.3373 -3383.3708 3383.3708
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 =
-2213.33734424 -2213.33734424 -2213.33734424
Force two-norm initial, final = 0.00972614 0.00972614
Force max component initial, final = 0.000827919 0.000827919
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184679 (88.7895)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.825309)
Outpt time (%) = 0 (0)
Other time (%) = 0.000216007 (10.3851)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.2812 -2213.2812 -3390.7106 3390.7106
2260 5.7153538e-10 -2213.2812 -2213.2812 -3390.7106 3390.7106
2270 6.2663006e-09 -2213.2812 -2213.2812 -3390.7099 3390.7099
2280 3.0591029e-08 -2213.2812 -2213.2812 -3390.7072 3390.7072
2290 1.6426143e-07 -2213.2813 -2213.2813 -3390.6921 3390.6921
2300 6.4331066e-07 -2213.2815 -2213.2815 -3390.637 3390.637
2310 2.9962622e-06 -2213.283 -2213.283 -3390.3551 3390.3551
2320 9.9416539e-06 -2213.2873 -2213.2873 -3389.3624 3389.3624
2330 2.3727299e-05 -2213.2973 -2213.2973 -3385.3803 3385.3803
2340 2.9161011e-05 -2213.3081 -2213.3081 -3388.4972 3388.4972
2350 4.71686e-05 -2213.3279 -2213.3279 -3384.2816 3384.2816
2360 7.6595158e-06 -2213.3355 -2213.3355 -3382.3352 3382.3352
2370 7.4359546e-07 -2213.3359 -2213.3359 -3383.0286 3383.0286
2380 1.3497593e-06 -2213.3365 -2213.3365 -3383.4245 3383.4245
2390 2.8029821e-07 -2213.3369 -2213.3369 -3383.0612 3383.0612
2400 3.4577457e-08 -2213.337 -2213.337 -3383.4848 3383.4848
2410 2.2085916e-07 -2213.3371 -2213.3371 -3383.4228 3383.4228
2420 4.182042e-07 -2213.3373 -2213.3373 -3383.7451 3383.7451
2430 2.969376e-09 -2213.3374 -2213.3374 -3383.4845 3383.4845
Loop time of 0.175577 on 1 procs for 180 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.2811526 -2213.33737787 -2213.33737848
Force two-norm initial, final = 0.813462 0.00945875
Force max component initial, final = 0.104009 0.000914002
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 180 180
Pair time (%) = 0.158858 (90.4775)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00143743 (0.818686)
Outpt time (%) = 0.001127 (0.641886)
Other time (%) = 0.0141549 (8.06193)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2430 0 -2213.3374 -2213.3374 -3383.4845 3383.4845
2431 6.2660421e-16 -2213.3374 -2213.3374 -3383.4845 3383.4845
Loop time of 0.00207615 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737848 -2213.33737848 -2213.33737848
Force two-norm initial, final = 0.00945875 0.00945875
Force max component initial, final = 0.000914002 0.000914002
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184679 (88.9527)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.815342)
Outpt time (%) = 0 (0)
Other time (%) = 0.000212431 (10.232)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.2824 -2213.2824 -3389.8226 3389.8226
2210 1.6285677e-10 -2213.2824 -2213.2824 -3389.8226 3389.8226
2220 1.7856434e-09 -2213.2824 -2213.2824 -3389.8227 3389.8227
2230 8.7191933e-09 -2213.2824 -2213.2824 -3389.8228 3389.8228
2240 4.68748e-08 -2213.2824 -2213.2824 -3389.8235 3389.8235
2250 1.8443635e-07 -2213.2825 -2213.2825 -3389.8259 3389.8259
2260 8.7874825e-07 -2213.2829 -2213.2829 -3389.837 3389.837
2270 3.1841515e-06 -2213.2843 -2213.2843 -3389.859 3389.859
2280 1.2380617e-05 -2213.2897 -2213.2897 -3389.6569 3389.6569
2290 2.7490248e-05 -2213.3005 -2213.3005 -3387.6785 3387.6785
2300 5.9574405e-05 -2213.3274 -2213.3274 -3384.5567 3384.5567
2310 4.5381743e-07 -2213.3364 -2213.3364 -3382.9765 3382.9765
2320 1.841444e-07 -2213.3368 -2213.3368 -3383.0158 3383.0158
2330 4.6965419e-07 -2213.337 -2213.337 -3383.153 3383.153
2340 9.339127e-07 -2213.3373 -2213.3373 -3383.7857 3383.7857
2350 1.7008704e-08 -2213.3374 -2213.3374 -3383.4141 3383.4141
2360 3.099772e-09 -2213.3374 -2213.3374 -3383.5325 3383.5325
2370 4.8881955e-09 -2213.3374 -2213.3374 -3383.4413 3383.4413
2378 1.2916382e-08 -2213.3374 -2213.3374 -3383.4578 3383.4578
Loop time of 0.17282 on 1 procs for 178 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28238469 -2213.33738414 -2213.33738525
Force two-norm initial, final = 0.434228 0.00586713
Force max component initial, final = 0.0418507 0.000561361
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 178 178
Pair time (%) = 0.156806 (90.7334)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0014205 (0.821952)
Outpt time (%) = 0.00113153 (0.654747)
Other time (%) = 0.0134625 (7.78992)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2378 0 -2213.3374 -2213.3374 -3383.4578 3383.4578
2380 9.6435804e-16 -2213.3374 -2213.3374 -3383.4578 3383.4578
2390 5.0598576e-14 -2213.3374 -2213.3374 -3383.4578 3383.4578
2400 4.7449255e-13 -2213.3374 -2213.3374 -3383.4578 3383.4578
2410 2.1917356e-12 -2213.3374 -2213.3374 -3383.4577 3383.4577
2420 1.1634279e-11 -2213.3374 -2213.3374 -3383.4575 3383.4575
2430 4.4388819e-11 -2213.3374 -2213.3374 -3383.4569 3383.4569
2440 2.0008789e-10 -2213.3374 -2213.3374 -3383.4538 3383.4538
2450 5.6430805e-10 -2213.3374 -2213.3374 -3383.4441 3383.4441
2460 8.4080499e-10 -2213.3374 -2213.3374 -3383.4152 3383.4152
2470 2.0375068e-09 -2213.3374 -2213.3374 -3383.4216 3383.4216
2480 3.1198211e-09 -2213.3374 -2213.3374 -3383.4045 3383.4045
2490 9.140593e-10 -2213.3374 -2213.3374 -3383.3966 3383.3966
2500 7.5181601e-09 -2213.3374 -2213.3374 -3383.4322 3383.4322
2510 1.0699781e-10 -2213.3374 -2213.3374 -3383.389 3383.389
2520 1.099664e-11 -2213.3374 -2213.3374 -3383.3966 3383.3966
2530 2.8641595e-12 -2213.3374 -2213.3374 -3383.3923 3383.3923
2540 6.15606e-11 -2213.3374 -2213.3374 -3383.3942 3383.3942
2550 1.042549e-13 -2213.3374 -2213.3374 -3383.3946 3383.3946
2560 3.4205551e-13 -2213.3374 -2213.3374 -3383.3944 3383.3944
2570 1.458187e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946
2578 1.7972522e-12 -2213.3374 -2213.3374 -3383.3949 3383.3949
Loop time of 0.198219 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33738525 -2213.3373891 -2213.3373891
Force two-norm initial, final = 0.00586713 0.000252892
Force max component initial, final = 0.000561361 1.4302e-05
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.175363 (88.4693)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00161004 (0.812254)
Outpt time (%) = 0.00140572 (0.709174)
Other time (%) = 0.0198402 (10.0093)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.2704 -2213.2704 -3394.6081 3394.6081
2260 3.8046885e-10 -2213.2704 -2213.2704 -3394.6081 3394.6081
2270 4.1713808e-09 -2213.2704 -2213.2704 -3394.6076 3394.6076
2280 2.0362025e-08 -2213.2704 -2213.2704 -3394.6058 3394.6058
2290 1.0928659e-07 -2213.2705 -2213.2705 -3394.5956 3394.5956
2300 4.2713783e-07 -2213.2707 -2213.2707 -3394.5585 3394.5585
2310 1.9724761e-06 -2213.2716 -2213.2716 -3394.3661 3394.3661
2320 6.3063818e-06 -2213.2744 -2213.2744 -3393.6579 3393.6579
2330 1.4434341e-05 -2213.2806 -2213.2806 -3390.2877 3390.2877
2340 3.3119086e-05 -2213.2933 -2213.2933 -3389.1076 3389.1076
2350 6.9561554e-05 -2213.3242 -2213.3242 -3384.5191 3384.5191
2360 3.5734061e-06 -2213.3362 -2213.3362 -3381.0981 3381.0981
2370 5.5246322e-07 -2213.3369 -2213.3369 -3382.866 3382.866
2380 6.0650441e-07 -2213.3371 -2213.3371 -3383.2609 3383.2609
2390 1.211644e-07 -2213.3373 -2213.3373 -3383.2764 3383.2764
2400 3.0504448e-08 -2213.3373 -2213.3373 -3383.3148 3383.3148
2410 7.5657533e-08 -2213.3373 -2213.3373 -3383.3499 3383.3499
2414 1.0406875e-07 -2213.3374 -2213.3374 -3383.3778 3383.3778
Loop time of 0.160108 on 1 procs for 164 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27039945 -2213.33734437 -2213.33735505
Force two-norm initial, final = 0.663706 0.00969775
Force max component initial, final = 0.0613998 0.000954685
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 164 164
Pair time (%) = 0.144464 (90.2294)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00132394 (0.826903)
Outpt time (%) = 0.00106406 (0.66459)
Other time (%) = 0.0132556 (8.27915)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2414 0 -2213.3374 -2213.3374 -3383.3778 3383.3778
2415 6.5867017e-16 -2213.3374 -2213.3374 -3383.3778 3383.3778
Loop time of 0.00207591 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735505 -2213.33735505 -2213.33735505
Force two-norm initial, final = 0.00969775 0.00969775
Force max component initial, final = 0.000954685 0.000954685
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184393 (88.8251)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.872861)
Outpt time (%) = 0 (0)
Other time (%) = 0.000213861 (10.3021)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2300 0 -2213.2888 -2213.2888 -3395.0146 3395.0146
2310 1.6578344e-10 -2213.2888 -2213.2888 -3395.0145 3395.0145
2320 1.8177338e-09 -2213.2888 -2213.2888 -3395.0137 3395.0137
2330 8.8759224e-09 -2213.2889 -2213.2889 -3395.0102 3395.0102
2340 4.7718119e-08 -2213.2889 -2213.2889 -3394.991 3394.991
2350 1.877725e-07 -2213.289 -2213.289 -3394.9212 3394.9212
2360 8.9512604e-07 -2213.2894 -2213.2894 -3394.5711 3394.5711
2370 3.2623302e-06 -2213.2908 -2213.2908 -3393.4145 3393.4145
2380 1.3693544e-05 -2213.2968 -2213.2968 -3389.2977 3389.2977
2390 3.7966572e-05 -2213.3116 -2213.3116 -3388.9208 3388.9208
2400 4.769631e-05 -2213.3325 -2213.3325 -3384.5035 3384.5035
2410 1.6504902e-06 -2213.3344 -2213.3344 -3385.1739 3385.1739
2420 9.6376172e-07 -2213.3352 -2213.3352 -3381.3805 3381.3805
2430 2.0352757e-06 -2213.3362 -2213.3362 -3382.9458 3382.9458
2440 4.1743055e-07 -2213.3371 -2213.3371 -3385.2352 3385.2352
2450 9.2182802e-08 -2213.3373 -2213.3373 -3382.786 3382.786
2460 1.9141428e-07 -2213.3373 -2213.3373 -3383.2308 3383.2308
2470 1.3670279e-10 -2213.3373 -2213.3373 -3383.528 3383.528
2478 8.872213e-09 -2213.3374 -2213.3374 -3383.3854 3383.3854
Loop time of 0.173742 on 1 procs for 178 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.2888478 -2213.3373519 -2213.33735283
Force two-norm initial, final = 0.438112 0.00970328
Force max component initial, final = 0.0498683 0.000987393
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 178 178
Pair time (%) = 0.156807 (90.2529)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00146103 (0.84092)
Outpt time (%) = 0.0011301 (0.65045)
Other time (%) = 0.0143437 (8.25578)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2478 0 -2213.3374 -2213.3374 -3383.3854 3383.3854
2479 6.5942138e-16 -2213.3374 -2213.3374 -3383.3854 3383.3854
Loop time of 0.00208998 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735283 -2213.33735283 -2213.33735283
Force two-norm initial, final = 0.00970328 0.00970328
Force max component initial, final = 0.000987393 0.000987393
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.001863 (89.1399)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.764317)
Outpt time (%) = 0 (0)
Other time (%) = 0.000211 (10.0958)
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 = 4.28247 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.2943 -2213.2943 -3390.9182 3390.9182
2260 2.6977595e-10 -2213.2943 -2213.2943 -3390.9183 3390.9183
2270 2.9578644e-09 -2213.2943 -2213.2943 -3390.9183 3390.9183
2280 1.444077e-08 -2213.2943 -2213.2943 -3390.9186 3390.9186
2290 7.7571024e-08 -2213.2944 -2213.2944 -3390.92 3390.92
2300 3.0420745e-07 -2213.2945 -2213.2945 -3390.9249 3390.9249
2310 1.4273152e-06 -2213.2952 -2213.2952 -3390.9453 3390.9453
2320 4.8664367e-06 -2213.2973 -2213.2973 -3390.9582 3390.9582
2330 1.4459106e-05 -2213.3037 -2213.3037 -3390.079 3390.079
2340 2.3605998e-05 -2213.313 -2213.313 -3385.2716 3385.2716
2350 4.4014157e-05 -2213.3317 -2213.3317 -3384.7454 3384.7454
2360 1.311336e-06 -2213.3357 -2213.3357 -3383.959 3383.959
2370 2.9999315e-06 -2213.3364 -2213.3364 -3386.695 3386.695
2380 4.7585687e-08 -2213.3372 -2213.3372 -3383.7973 3383.7973
2390 1.2058375e-07 -2213.3373 -2213.3373 -3383.0017 3383.0017
2400 8.773781e-10 -2213.3374 -2213.3374 -3383.588 3383.588
2410 2.4717308e-08 -2213.3374 -2213.3374 -3383.2639 3383.2639
2415 3.2856391e-08 -2213.3374 -2213.3374 -3383.4059 3383.4059
Loop time of 0.160708 on 1 procs for 165 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29433424 -2213.33737577 -2213.33737767
Force two-norm initial, final = 0.558878 0.00983737
Force max component initial, final = 0.0743325 0.00084201
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 165 165
Pair time (%) = 0.145324 (90.4274)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00131392 (0.817585)
Outpt time (%) = 0.00106406 (0.662109)
Other time (%) = 0.013006 (8.09292)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2415 0 -2213.3374 -2213.3374 -3383.4059 3383.4059
2416 6.7777304e-16 -2213.3374 -2213.3374 -3383.4059 3383.4059
Loop time of 0.00207686 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737767 -2213.33737767 -2213.33737767
Force two-norm initial, final = 0.00983737 0.00983737
Force max component initial, final = 0.00084201 0.00084201
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185013 (89.0828)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.780622)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210524 (10.1366)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2300 0 -2213.253 -2213.253 -3397.9261 3397.9261
2310 3.9320043e-10 -2213.253 -2213.253 -3397.926 3397.926
2320 4.3110783e-09 -2213.253 -2213.253 -3397.9252 3397.9252
2330 2.1046758e-08 -2213.253 -2213.253 -3397.9217 3397.9217
2340 1.1303679e-07 -2213.253 -2213.253 -3397.9027 3397.9027
2350 4.4303254e-07 -2213.2533 -2213.2533 -3397.8334 3397.8334
2360 2.0719095e-06 -2213.2542 -2213.2542 -3397.4812 3397.4812
2370 6.9827717e-06 -2213.2573 -2213.2573 -3396.2628 3396.2628
2380 1.9181655e-05 -2213.2655 -2213.2655 -3391.2486 3391.2486
2390 3.6580426e-05 -2213.2799 -2213.2799 -3390.2973 3390.2973
2400 8.9822276e-05 -2213.3203 -2213.3203 -3385.2083 3385.2083
2410 3.3585597e-06 -2213.3341 -2213.3341 -3386.8716 3386.8716
2420 1.2774035e-06 -2213.3367 -2213.3367 -3382.7641 3382.7641
2430 8.5441513e-08 -2213.3367 -2213.3367 -3383.7068 3383.7068
2440 3.1291088e-07 -2213.3369 -2213.3369 -3382.7736 3382.7736
2450 7.5747391e-07 -2213.3372 -2213.3372 -3382.744 3382.744
2460 8.1393714e-10 -2213.3373 -2213.3373 -3383.3598 3383.3598
2463 3.061523e-09 -2213.3373 -2213.3373 -3383.3934 3383.3934
Loop time of 0.159689 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.25297963 -2213.33733419 -2213.33733469
Force two-norm initial, final = 0.674719 0.00979413
Force max component initial, final = 0.0706247 0.000843463
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.144154 (90.2715)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00130343 (0.816233)
Outpt time (%) = 0.00106764 (0.668574)
Other time (%) = 0.0131643 (8.2437)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2463 0 -2213.3373 -2213.3373 -3383.3934 3383.3934
2464 6.7182809e-16 -2213.3373 -2213.3373 -3383.3934 3383.3934
Loop time of 0.00207806 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733469 -2213.33733469 -2213.33733469
Force two-norm initial, final = 0.00979413 0.00979413
Force max component initial, final = 0.000843463 0.000843463
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185084 (89.0661)
Neigh time (%) = 0 (0)
Comm time (%) = 1.7643e-05 (0.849013)
Outpt time (%) = 0 (0)
Other time (%) = 0.00020957 (10.0849)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2350 0 -2213.2129 -2213.2129 -3398.0878 3398.0878
2360 3.7782073e-10 -2213.2129 -2213.2129 -3398.0878 3398.0878
2370 4.1425769e-09 -2213.2129 -2213.2129 -3398.0877 3398.0877
2380 2.0227e-08 -2213.2129 -2213.2129 -3398.0871 3398.0871
2390 1.0871504e-07 -2213.2129 -2213.2129 -3398.0839 3398.0839
2400 4.2733548e-07 -2213.2131 -2213.2131 -3398.072 3398.072
2410 2.0268073e-06 -2213.2141 -2213.2141 -3398.0098 3398.0098
2420 7.2127603e-06 -2213.2173 -2213.2173 -3397.7697 3397.7697
2430 2.5881639e-05 -2213.2287 -2213.2287 -3396.285 3396.285
2440 5.5239284e-05 -2213.2509 -2213.2509 -3392.4926 3392.4926
2450 0.00014503277 -2213.3136 -2213.3136 -3386.242 3386.242
2460 1.8360766e-06 -2213.3365 -2213.3365 -3383.3643 3383.3643
2470 3.4883093e-07 -2213.3368 -2213.3368 -3383.1679 3383.1679
2480 5.2572556e-07 -2213.337 -2213.337 -3383.3074 3383.3074
2490 1.1021963e-07 -2213.3372 -2213.3372 -3383.3814 3383.3814
2500 1.4759382e-08 -2213.3372 -2213.3372 -3383.3819 3383.3819
2510 1.0019496e-07 -2213.3373 -2213.3373 -3383.3839 3383.3839
2520 1.8536443e-07 -2213.3374 -2213.3374 -3383.417 3383.417
2521 2.1145972e-07 -2213.3374 -2213.3374 -3383.3898 3383.3898
Loop time of 0.167444 on 1 procs for 171 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.21287083 -2213.33736917 -2213.33738312
Force two-norm initial, final = 0.661391 0.0061839
Force max component initial, final = 0.162657 0.000610317
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 171 171
Pair time (%) = 0.151793 (90.6533)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00136805 (0.817017)
Outpt time (%) = 0.00113463 (0.67762)
Other time (%) = 0.0131478 (7.85208)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2521 0 -2213.3374 -2213.3374 -3383.3898 3383.3898
2522 2.6782459e-16 -2213.3374 -2213.3374 -3383.3898 3383.3898
Loop time of 0.0020771 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738312 -2213.33738312 -2213.33738312
Force two-norm initial, final = 0.0061839 0.0061839
Force max component initial, final = 0.000610317 0.000610317
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184608 (88.8774)
Neigh time (%) = 0 (0)
Comm time (%) = 1.45435e-05 (0.700184)
Outpt time (%) = 0 (0)
Other time (%) = 0.000216484 (10.4224)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2300 0 -2213.321 -2213.321 -3384.1861 3384.1861
2310 2.8364316e-10 -2213.321 -2213.321 -3384.1861 3384.1861
2320 3.1098077e-09 -2213.321 -2213.321 -3384.186 3384.186
2330 1.5180349e-08 -2213.321 -2213.321 -3384.1857 3384.1857
2340 8.1479333e-08 -2213.3211 -2213.3211 -3384.1841 3384.1841
2350 3.1857531e-07 -2213.3212 -2213.3212 -3384.1779 3384.1779
2360 1.472265e-06 -2213.3219 -2213.3219 -3384.1435 3384.1435
2370 4.7244727e-06 -2213.324 -2213.324 -3383.9895 3383.9895
2380 9.1643609e-06 -2213.3278 -2213.3278 -3383.0783 3383.0783
2390 9.1995019e-06 -2213.3311 -2213.3311 -3384.4913 3384.4913
2400 1.0965655e-05 -2213.3349 -2213.3349 -3383.2525 3383.2525
2410 3.6136741e-06 -2213.3367 -2213.3367 -3382.9829 3382.9829
2420 3.9218494e-07 -2213.3369 -2213.3369 -3383.1445 3383.1445
2430 5.4959582e-07 -2213.3371 -2213.3371 -3383.4823 3383.4823
2440 1.0911175e-08 -2213.3373 -2213.3373 -3383.4661 3383.4661
2450 1.9869453e-07 -2213.3373 -2213.3373 -3383.5191 3383.5191
2460 6.7329381e-09 -2213.3373 -2213.3373 -3383.3814 3383.3814
2470 8.4125272e-09 -2213.3374 -2213.3374 -3383.428 3383.428
2480 4.7018806e-08 -2213.3374 -2213.3374 -3383.4264 3383.4264
2486 4.7627267e-09 -2213.3374 -2213.3374 -3383.3882 3383.3882
Loop time of 0.183218 on 1 procs for 186 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32101676 -2213.33738021 -2213.33738133
Force two-norm initial, final = 0.573063 0.00964146
Force max component initial, final = 0.0497965 0.000574535
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 186 186
Pair time (%) = 0.163365 (89.1641)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00145841 (0.795995)
Outpt time (%) = 0.00119019 (0.649601)
Other time (%) = 0.0172048 (9.39032)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2486 0 -2213.3374 -2213.3374 -3383.3882 3383.3882
2487 6.5104565e-16 -2213.3374 -2213.3374 -3383.3882 3383.3882
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 =
-2213.33738133 -2213.33738133 -2213.33738133
Force two-norm initial, final = 0.00964146 0.00964146
Force max component initial, final = 0.000574535 0.000574535
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.001863 (87.6304)
Neigh time (%) = 0 (0)
Comm time (%) = 1.64509e-05 (0.773803)
Outpt time (%) = 0 (0)
Other time (%) = 0.000246525 (11.5958)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2350 0 -2213.2884 -2213.2884 -3391.5951 3391.5951
2360 1.4803077e-10 -2213.2884 -2213.2884 -3391.595 3391.595
2370 1.6230599e-09 -2213.2884 -2213.2884 -3391.5946 3391.5946
2380 7.9247983e-09 -2213.2884 -2213.2884 -3391.5927 3391.5927
2390 4.2588797e-08 -2213.2884 -2213.2884 -3391.5823 3391.5823
2400 1.6735822e-07 -2213.2885 -2213.2885 -3391.5445 3391.5445
2410 7.9221493e-07 -2213.2889 -2213.2889 -3391.3536 3391.3536
2420 2.8140066e-06 -2213.2901 -2213.2901 -3390.709 3390.709
2430 1.032856e-05 -2213.2945 -2213.2945 -3388.2744 3388.2744
2440 2.5620395e-05 -2213.3048 -2213.3048 -3388.2161 3388.2161
2450 5.4612242e-05 -2213.3286 -2213.3286 -3383.9139 3383.9139
2460 1.0538263e-06 -2213.3363 -2213.3363 -3381.7735 3381.7735
2470 2.3473462e-07 -2213.3367 -2213.3367 -3382.8125 3382.8125
2480 7.13353e-07 -2213.337 -2213.337 -3383.0514 3383.0514
2490 1.486557e-08 -2213.3373 -2213.3373 -3383.5383 3383.5383
2500 1.0272717e-08 -2213.3374 -2213.3374 -3383.5446 3383.5446
2508 3.2088269e-08 -2213.3374 -2213.3374 -3383.4411 3383.4411
Loop time of 0.154269 on 1 procs for 158 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28840234 -2213.33737338 -2213.33737605
Force two-norm initial, final = 0.413991 0.00654944
Force max component initial, final = 0.0427926 0.000904343
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 158 158
Pair time (%) = 0.139704 (90.559)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00128293 (0.831619)
Outpt time (%) = 0.000998259 (0.64709)
Other time (%) = 0.0122833 (7.96228)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2508 0 -2213.3374 -2213.3374 -3383.4411 3383.4411
2509 3.0042353e-16 -2213.3374 -2213.3374 -3383.4411 3383.4411
Loop time of 0.00208092 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737605 -2213.33737605 -2213.33737605
Force two-norm initial, final = 0.00654944 0.00654944
Force max component initial, final = 0.000904343 0.000904343
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00186706 (89.7227)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.710357)
Outpt time (%) = 0 (0)
Other time (%) = 0.00019908 (9.56691)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2400 0 -2213.2666 -2213.2666 -3392.032 3392.032
2410 1.417065e-10 -2213.2666 -2213.2666 -3392.032 3392.032
2420 1.5537212e-09 -2213.2666 -2213.2666 -3392.0318 3392.0318
2430 7.5863106e-09 -2213.2666 -2213.2666 -3392.0309 3392.0309
2440 4.0771637e-08 -2213.2666 -2213.2666 -3392.0258 3392.0258
2450 1.6024792e-07 -2213.2667 -2213.2667 -3392.0073 3392.0073
2460 7.593579e-07 -2213.267 -2213.267 -3391.9134 3391.9134
2470 2.7145433e-06 -2213.2682 -2213.2682 -3391.5916 3391.5916
2480 1.0650344e-05 -2213.2728 -2213.2728 -3390.3201 3390.3201
2490 3.1620575e-05 -2213.2857 -2213.2857 -3389.6306 3389.6306
2500 8.4012552e-05 -2213.3226 -2213.3226 -3385.2554 3385.2554
2510 2.3416687e-06 -2213.3366 -2213.3366 -3383.8313 3383.8313
2520 4.3007412e-07 -2213.337 -2213.337 -3383.1585 3383.1585
2530 4.4077854e-07 -2213.3371 -2213.3371 -3383.0361 3383.0361
2540 1.1869894e-07 -2213.3373 -2213.3373 -3383.3496 3383.3496
2550 3.0535678e-08 -2213.3373 -2213.3373 -3383.3101 3383.3101
2560 8.3344659e-08 -2213.3373 -2213.3373 -3383.3333 3383.3333
2564 1.1794961e-07 -2213.3374 -2213.3374 -3383.3622 3383.3622
Loop time of 0.160636 on 1 procs for 164 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26657097 -2213.33734143 -2213.3373522
Force two-norm initial, final = 0.405051 0.00861611
Force max component initial, final = 0.0330955 0.000849223
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 164 164
Pair time (%) = 0.145534 (90.5984)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00129533 (0.806374)
Outpt time (%) = 0.00107193 (0.667303)
Other time (%) = 0.0127351 (7.92793)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2564 0 -2213.3374 -2213.3374 -3383.3622 3383.3622
2565 5.1993408e-16 -2213.3374 -2213.3374 -3383.3622 3383.3622
Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373522 -2213.3373522 -2213.3373522
Force two-norm initial, final = 0.00861611 0.00861611
Force max component initial, final = 0.000849223 0.000849223
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184798 (89.0612)
Neigh time (%) = 0 (0)
Comm time (%) = 1.78814e-05 (0.861772)
Outpt time (%) = 0 (0)
Other time (%) = 0.000209093 (10.077)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2350 0 -2213.307 -2213.307 -3381.196 3381.196
2360 2.0004396e-10 -2213.307 -2213.307 -3381.196 3381.196
2370 2.1933836e-09 -2213.307 -2213.307 -3381.1966 3381.1966
2380 1.0710449e-08 -2213.307 -2213.307 -3381.1992 3381.1992
2390 5.7582897e-08 -2213.307 -2213.307 -3381.2132 3381.2132
2400 2.2671904e-07 -2213.3071 -2213.3071 -3381.264 3381.264
2410 1.0816627e-06 -2213.3076 -2213.3076 -3381.5183 3381.5183
2420 3.9825727e-06 -2213.3093 -2213.3093 -3382.3506 3382.3506
2430 1.575876e-05 -2213.3156 -2213.3156 -3385.145 3385.145
2440 2.5668836e-05 -2213.3257 -2213.3257 -3384.8047 3384.8047
2450 1.7779371e-05 -2213.3333 -2213.3333 -3384.3171 3384.3171
2460 2.9339701e-08 -2213.3344 -2213.3344 -3383.9334 3383.9334
2470 1.2166139e-06 -2213.3351 -2213.3351 -3383.2905 3383.2905
2480 2.2260302e-06 -2213.3365 -2213.3365 -3383.6687 3383.6687
2490 2.1827314e-09 -2213.3367 -2213.3367 -3383.5007 3383.5007
2500 9.6719063e-08 -2213.3368 -2213.3368 -3383.4371 3383.4371
2510 5.7441764e-07 -2213.3371 -2213.3371 -3383.4399 3383.4399
2520 4.6452788e-09 -2213.3374 -2213.3374 -3383.3944 3383.3944
2522 1.3580054e-08 -2213.3374 -2213.3374 -3383.3977 3383.3977
Loop time of 0.166652 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30695658 -2213.33737278 -2213.3373741
Force two-norm initial, final = 0.481258 0.0058088
Force max component initial, final = 0.0519303 0.000900609
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.151401 (90.8484)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00134706 (0.808309)
Outpt time (%) = 0.00114441 (0.686705)
Other time (%) = 0.0127599 (7.65662)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2522 0 -2213.3374 -2213.3374 -3383.3977 3383.3977
2523 2.3631925e-16 -2213.3374 -2213.3374 -3383.3977 3383.3977
Loop time of 0.00207806 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373741 -2213.3373741 -2213.3373741
Force two-norm initial, final = 0.0058088 0.0058088
Force max component initial, final = 0.000900609 0.000900609
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185061 (89.0546)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.757228)
Outpt time (%) = 0 (0)
Other time (%) = 0.000211716 (10.1882)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2400 0 -2213.2979 -2213.2979 -3388.9907 3388.9907
2410 9.2539914e-11 -2213.2979 -2213.2979 -3388.9907 3388.9907
2420 1.0146578e-09 -2213.2979 -2213.2979 -3388.9905 3388.9905
2430 4.9547544e-09 -2213.2979 -2213.2979 -3388.99 3388.99
2440 2.6640791e-08 -2213.2979 -2213.2979 -3388.9871 3388.9871
2450 1.0494347e-07 -2213.2979 -2213.2979 -3388.9764 3388.9764
2460 5.0171095e-07 -2213.2982 -2213.2982 -3388.9216 3388.9216
2470 1.875374e-06 -2213.299 -2213.299 -3388.7243 3388.7243
2480 8.3018506e-06 -2213.3022 -2213.3022 -3387.755 3387.755
2490 1.8120237e-05 -2213.3096 -2213.3096 -3386.2452 3386.2452
2500 3.686714e-05 -2213.3286 -2213.3286 -3384.1972 3384.1972
2510 9.7142361e-07 -2213.3361 -2213.3361 -3383.7998 3383.7998
2520 2.1916654e-07 -2213.3362 -2213.3362 -3383.6789 3383.6789
2530 5.976658e-07 -2213.3365 -2213.3365 -3383.4469 3383.4469
2540 6.4232587e-08 -2213.3369 -2213.3369 -3383.3532 3383.3532
2550 2.5842435e-08 -2213.3369 -2213.3369 -3383.3946 3383.3946
2560 2.4238754e-07 -2213.3371 -2213.3371 -3383.4487 3383.4487
2570 5.1341495e-07 -2213.3373 -2213.3373 -3383.3866 3383.3866
2571 4.9862975e-07 -2213.3374 -2213.3374 -3383.3707 3383.3707
Loop time of 0.16609 on 1 procs for 171 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29785881 -2213.33733725 -2213.33736148
Force two-norm initial, final = 0.327325 0.00728645
Force max component initial, final = 0.0334638 0.000745569
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 171 171
Pair time (%) = 0.150871 (90.8369)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00138044 (0.831142)
Outpt time (%) = 0.00114131 (0.687163)
Other time (%) = 0.0126972 (7.64478)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2571 0 -2213.3374 -2213.3374 -3383.3708 3383.3708
2572 3.7184176e-16 -2213.3374 -2213.3374 -3383.3708 3383.3708
Loop time of 0.00206184 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736148 -2213.33736148 -2213.33736148
Force two-norm initial, final = 0.00728645 0.00728645
Force max component initial, final = 0.000745569 0.000745569
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184774 (89.6161)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.774746)
Outpt time (%) = 0 (0)
Other time (%) = 0.000198126 (9.60916)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2450 0 -2213.3247 -2213.3247 -3387.0849 3387.0849
2460 5.6092548e-11 -2213.3247 -2213.3247 -3387.0848 3387.0848
2470 6.1500579e-10 -2213.3247 -2213.3247 -3387.0844 3387.0844
2480 3.0026021e-09 -2213.3247 -2213.3247 -3387.0827 3387.0827
2490 1.612875e-08 -2213.3247 -2213.3247 -3387.0732 3387.0732
2500 6.3278969e-08 -2213.3247 -2213.3247 -3387.0385 3387.0385
2510 2.9694544e-07 -2213.3249 -2213.3249 -3386.8638 3386.8638
2520 1.026956e-06 -2213.3253 -2213.3253 -3386.2744 3386.2744
2530 3.2447357e-06 -2213.3265 -2213.3265 -3384.1209 3384.1209
2540 5.5907052e-06 -2213.3288 -2213.3288 -3384.6505 3384.6505
2550 1.0001271e-05 -2213.3343 -2213.3343 -3382.4508 3382.4508
2560 7.5548327e-09 -2213.3357 -2213.3357 -3383.1118 3383.1118
2570 3.204618e-07 -2213.3359 -2213.3359 -3383.689 3383.689
2580 1.0287847e-06 -2213.3364 -2213.3364 -3383.2458 3383.2458
2590 3.2440247e-08 -2213.3371 -2213.3371 -3383.4046 3383.4046
2600 3.484166e-08 -2213.3371 -2213.3371 -3383.4106 3383.4106
2610 2.0187976e-07 -2213.3373 -2213.3373 -3383.4194 3383.4194
2620 7.284236e-10 -2213.3373 -2213.3373 -3383.4116 3383.4116
2630 2.098292e-08 -2213.3373 -2213.3373 -3383.3999 3383.3999
2633 3.27521e-08 -2213.3373 -2213.3373 -3383.4015 3383.4015
Loop time of 0.180108 on 1 procs for 183 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3246928 -2213.33731494 -2213.3373181
Force two-norm initial, final = 0.25484 0.00911541
Force max component initial, final = 0.0303204 0.000586904
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 183 183
Pair time (%) = 0.161704 (89.7817)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0014596 (0.810402)
Outpt time (%) = 0.0012126 (0.673261)
Other time (%) = 0.0157318 (8.73465)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2633 0 -2213.3373 -2213.3373 -3383.4015 3383.4015
2634 5.8194051e-16 -2213.3373 -2213.3373 -3383.4015 3383.4015
Loop time of 0.0020771 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373181 -2213.3373181 -2213.3373181
Force two-norm initial, final = 0.00911541 0.00911541
Force max component initial, final = 0.000586904 0.000586904
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184822 (88.9807)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.769054)
Outpt time (%) = 0 (0)
Other time (%) = 0.000212908 (10.2502)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2400 0 -2213.2993 -2213.2993 -3391.0348 3391.0348
2410 2.1453945e-10 -2213.2993 -2213.2993 -3391.0347 3391.0347
2420 2.3521978e-09 -2213.2993 -2213.2993 -3391.034 3391.034
2430 1.148283e-08 -2213.2993 -2213.2993 -3391.0311 3391.0311
2440 6.1652875e-08 -2213.2993 -2213.2993 -3391.0149 3391.0149
2450 2.4136852e-07 -2213.2994 -2213.2994 -3390.9559 3390.9559
2460 1.1226345e-06 -2213.3 -2213.3 -3390.6568 3390.6568
2470 3.7184865e-06 -2213.3016 -2213.3016 -3389.6287 3389.6287
2480 1.0255477e-05 -2213.3057 -2213.3057 -3385.5647 3385.5647
2490 2.1350324e-05 -2213.3139 -2213.3139 -3385.7123 3385.7123
2500 3.1461397e-05 -2213.3296 -2213.3296 -3383.4416 3383.4416
2510 1.8134992e-06 -2213.3358 -2213.3358 -3381.0189 3381.0189
2520 9.0034198e-07 -2213.3371 -2213.3371 -3383.7695 3383.7695
2530 7.9226255e-08 -2213.3371 -2213.3371 -3383.3007 3383.3007
2540 2.690817e-07 -2213.3372 -2213.3372 -3383.6796 3383.6796
2550 6.1671634e-09 -2213.3373 -2213.3373 -3383.5917 3383.5917
2560 2.6129474e-08 -2213.3374 -2213.3374 -3383.2737 3383.2737
2569 1.4131302e-08 -2213.3374 -2213.3374 -3383.446 3383.446
Loop time of 0.168043 on 1 procs for 169 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29928929 -2213.33737263 -2213.33737403
Force two-norm initial, final = 0.49839 0.00807189
Force max component initial, final = 0.0454184 0.000543783
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 169 169
Pair time (%) = 0.149072 (88.7107)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0013597 (0.809138)
Outpt time (%) = 0.00107622 (0.640444)
Other time (%) = 0.016535 (9.83976)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2569 0 -2213.3374 -2213.3374 -3383.446 3383.446
2570 4.563273e-16 -2213.3374 -2213.3374 -3383.446 3383.446
Loop time of 0.00228095 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737403 -2213.33737403 -2213.33737403
Force two-norm initial, final = 0.00807189 0.00807189
Force max component initial, final = 0.000543783 0.000543783
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00199199 (87.3315)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.742134)
Outpt time (%) = 0 (0)
Other time (%) = 0.000272036 (11.9264)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2450 0 -2213.2814 -2213.2814 -3378.0814 3378.0814
2460 4.2849706e-10 -2213.2814 -2213.2814 -3378.0816 3378.0816
2470 4.6979972e-09 -2213.2814 -2213.2814 -3378.0836 3378.0836
2480 2.2933917e-08 -2213.2814 -2213.2814 -3378.0927 3378.0927
2490 1.2312209e-07 -2213.2815 -2213.2815 -3378.1426 3378.1426
2500 4.8178618e-07 -2213.2817 -2213.2817 -3378.3235 3378.3235
2510 2.2355748e-06 -2213.2828 -2213.2828 -3379.2236 3379.2236
2520 7.2915051e-06 -2213.286 -2213.286 -3382.1133 3382.1133
2530 1.6062345e-05 -2213.2928 -2213.2928 -3390.9007 3390.9007
2540 2.5541001e-05 -2213.3019 -2213.3019 -3386.6194 3386.6194
2550 5.4309478e-05 -2213.3268 -2213.3268 -3384.2167 3384.2167
2560 6.5960416e-06 -2213.336 -2213.336 -3383.4867 3383.4867
2570 5.8451597e-07 -2213.3361 -2213.3361 -3382.9074 3382.9074
2580 9.454348e-07 -2213.3364 -2213.3364 -3382.8774 3382.8774
2590 1.758576e-08 -2213.3371 -2213.3371 -3382.9591 3382.9591
2600 3.0887089e-08 -2213.3372 -2213.3372 -3383.5614 3383.5614
2610 1.3748932e-07 -2213.3373 -2213.3373 -3383.5973 3383.5973
2620 1.5450226e-08 -2213.3373 -2213.3373 -3383.4066 3383.4066
Loop time of 0.165882 on 1 procs for 170 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.2814196 -2213.33731219 -2213.33731364
Force two-norm initial, final = 0.704352 0.00943311
Force max component initial, final = 0.083632 0.000626719
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 170 170
Pair time (%) = 0.149864 (90.3441)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00135136 (0.81465)
Outpt time (%) = 0.00107312 (0.646919)
Other time (%) = 0.013593 (8.19436)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2620 0 -2213.3373 -2213.3373 -3383.4066 3383.4066
2621 6.232124e-16 -2213.3373 -2213.3373 -3383.4066 3383.4066
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 =
-2213.33731364 -2213.33731364 -2213.33731364
Force two-norm initial, final = 0.00943311 0.00943311
Force max component initial, final = 0.000626719 0.000626719
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184393 (89.2968)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.727399)
Outpt time (%) = 0 (0)
Other time (%) = 0.000205994 (9.97575)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2500 0 -2213.3154 -2213.3154 -3385.0979 3385.0979
2510 1.9615867e-10 -2213.3154 -2213.3154 -3385.0979 3385.0979
2520 2.1507415e-09 -2213.3154 -2213.3154 -3385.0981 3385.0981
2530 1.0500983e-08 -2213.3154 -2213.3154 -3385.0987 3385.0987
2540 5.6426869e-08 -2213.3154 -2213.3154 -3385.1021 3385.1021
2550 2.2160237e-07 -2213.3155 -2213.3155 -3385.1142 3385.1142
2560 1.0464276e-06 -2213.316 -2213.316 -3385.1732 3385.1732
2570 3.6633955e-06 -2213.3176 -2213.3176 -3385.3401 3385.3401
2580 1.2157161e-05 -2213.3229 -2213.3229 -3385.4726 3385.4726
2590 1.9685075e-05 -2213.3301 -2213.3301 -3382.9265 3382.9265
2600 1.3039025e-05 -2213.3348 -2213.3348 -3384.0042 3384.0042
2610 2.0177702e-06 -2213.3358 -2213.3358 -3384.2915 3384.2915
2620 8.8251602e-07 -2213.3367 -2213.3367 -3383.3677 3383.3677
2630 1.4730136e-07 -2213.3368 -2213.3368 -3383.3521 3383.3521
2640 4.7654505e-07 -2213.3371 -2213.3371 -3383.7135 3383.7135
2650 5.7594245e-08 -2213.3373 -2213.3373 -3383.2764 3383.2764
2660 5.3637832e-09 -2213.3373 -2213.3373 -3383.4459 3383.4459
2670 4.3749325e-08 -2213.3373 -2213.3373 -3383.3685 3383.3685
2675 1.0616221e-07 -2213.3374 -2213.3374 -3383.3618 3383.3618
Loop time of 0.173266 on 1 procs for 175 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31535072 -2213.33735022 -2213.33736353
Force two-norm initial, final = 0.476562 0.00709915
Force max component initial, final = 0.0601429 0.000662738
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 175 175
Pair time (%) = 0.154589 (89.2209)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00140905 (0.813232)
Outpt time (%) = 0.00112724 (0.650585)
Other time (%) = 0.0161402 (9.31529)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2675 0 -2213.3374 -2213.3374 -3383.3618 3383.3618
2676 3.5297121e-16 -2213.3374 -2213.3374 -3383.3618 3383.3618
Loop time of 0.0020659 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736353 -2213.33736353 -2213.33736353
Force two-norm initial, final = 0.00709915 0.00709915
Force max component initial, final = 0.000662738 0.000662738
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184679 (89.3941)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.830929)
Outpt time (%) = 0 (0)
Other time (%) = 0.000201941 (9.77496)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2550 0 -2213.2673 -2213.2673 -3394.1583 3394.1583
2560 2.3825583e-10 -2213.2673 -2213.2673 -3394.1583 3394.1583
2570 2.6122896e-09 -2213.2673 -2213.2673 -3394.1579 3394.1579
2580 1.2754058e-08 -2213.2673 -2213.2673 -3394.1563 3394.1563
2590 6.8521971e-08 -2213.2674 -2213.2674 -3394.1472 3394.1472
2600 2.689161e-07 -2213.2675 -2213.2675 -3394.114 3394.114
2610 1.2658547e-06 -2213.2681 -2213.2681 -3393.9458 3393.9458
2620 4.3819748e-06 -2213.27 -2213.27 -3393.3627 3393.3627
2630 1.4295322e-05 -2213.2763 -2213.2763 -3390.9016 3390.9016
2640 3.255791e-05 -2213.2886 -2213.2886 -3388.8149 3388.8149
2650 7.8881149e-05 -2213.3239 -2213.3239 -3385.5147 3385.5147
2660 3.6860342e-06 -2213.3364 -2213.3364 -3383.3183 3383.3183
2670 6.2154143e-07 -2213.3371 -2213.3371 -3383.0527 3383.0527
2680 4.7984814e-07 -2213.3371 -2213.3371 -3383.1279 3383.1279
2690 2.1495964e-07 -2213.3373 -2213.3373 -3383.3866 3383.3866
2700 1.9443046e-08 -2213.3373 -2213.3373 -3383.3558 3383.3558
2708 5.9521999e-08 -2213.3373 -2213.3373 -3383.3566 3383.3566
Loop time of 0.154695 on 1 procs for 158 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26731374 -2213.33732264 -2213.33732825
Force two-norm initial, final = 0.525215 0.00994901
Force max component initial, final = 0.0927091 0.000858681
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 158 158
Pair time (%) = 0.13962 (90.2552)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00126386 (0.817)
Outpt time (%) = 0.00100279 (0.648237)
Other time (%) = 0.0128081 (8.27958)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2708 0 -2213.3373 -2213.3373 -3383.3566 3383.3566
2709 6.9324306e-16 -2213.3373 -2213.3373 -3383.3566 3383.3566
Loop time of 0.00211215 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33732825 -2213.33732825 -2213.33732825
Force two-norm initial, final = 0.00994901 0.00994901
Force max component initial, final = 0.000858681 0.000858681
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184894 (87.5381)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.756293)
Outpt time (%) = 0 (0)
Other time (%) = 0.00024724 (11.7056)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.2972 -2213.2972 -3381.369 3381.369
2610 5.1425394e-10 -2213.2972 -2213.2972 -3381.3692 3381.3692
2620 5.6383213e-09 -2213.2972 -2213.2972 -3381.3704 3381.3704
2630 2.7526512e-08 -2213.2972 -2213.2972 -3381.3757 3381.3757
2640 1.4784063e-07 -2213.2972 -2213.2972 -3381.4046 3381.4046
2650 5.7950248e-07 -2213.2975 -2213.2975 -3381.5095 3381.5095
2660 2.711143e-06 -2213.2988 -2213.2988 -3382.0289 3382.0289
2670 9.1557594e-06 -2213.3028 -2213.3028 -3383.6604 3383.6604
2680 2.5024638e-05 -2213.3135 -2213.3135 -3388.0853 3388.0853
2690 2.6809689e-05 -2213.323 -2213.323 -3382.6048 3382.6048
2700 2.3345701e-05 -2213.332 -2213.332 -3384.9748 3384.9748
2710 6.3250426e-06 -2213.3318 -2213.3318 -3387.6819 3387.6819
2720 2.784296e-06 -2213.3368 -2213.3368 -3382.9491 3382.9491
2730 2.0594094e-07 -2213.3369 -2213.3369 -3384.0659 3384.0659
2740 5.105602e-07 -2213.3372 -2213.3372 -3383.1737 3383.1737
2750 8.8326039e-09 -2213.3374 -2213.3374 -3383.354 3383.354
2760 2.860921e-09 -2213.3374 -2213.3374 -3383.4541 3383.4541
2764 8.5055935e-09 -2213.3374 -2213.3374 -3383.4408 3383.4408
Loop time of 0.159871 on 1 procs for 164 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29715986 -2213.33737378 -2213.33737456
Force two-norm initial, final = 0.771622 0.00946234
Force max component initial, final = 0.100533 0.000754851
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 164 164
Pair time (%) = 0.144897 (90.6338)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00131464 (0.822312)
Outpt time (%) = 0.00106406 (0.665575)
Other time (%) = 0.0125952 (7.87833)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2764 0 -2213.3374 -2213.3374 -3383.4408 3383.4408
2765 6.2707992e-16 -2213.3374 -2213.3374 -3383.4408 3383.4408
Loop time of 0.00206208 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737456 -2213.33737456 -2213.33737456
Force two-norm initial, final = 0.00946234 0.00946234
Force max component initial, final = 0.000754851 0.000754851
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184369 (89.4092)
Neigh time (%) = 0 (0)
Comm time (%) = 1.78814e-05 (0.867152)
Outpt time (%) = 0 (0)
Other time (%) = 0.00020051 (9.72367)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2500 0 -2213.2185 -2213.2185 -3391.4696 3391.4696
2510 4.2857336e-10 -2213.2185 -2213.2185 -3391.4697 3391.4697
2520 4.6990536e-09 -2213.2185 -2213.2185 -3391.47 3391.47
2530 2.2944621e-08 -2213.2185 -2213.2185 -3391.4717 3391.4717
2540 1.2332812e-07 -2213.2186 -2213.2186 -3391.4807 3391.4807
2550 4.8503587e-07 -2213.2188 -2213.2188 -3391.5134 3391.5134
2560 2.3032862e-06 -2213.2199 -2213.2199 -3391.6744 3391.6744
2570 8.2949557e-06 -2213.2235 -2213.2235 -3392.1715 3392.1715
2580 3.0304404e-05 -2213.236 -2213.236 -3393.4093 3393.4093
2590 5.6660254e-05 -2213.2594 -2213.2594 -3392.3196 3392.3196
2600 0.00011858484 -2213.3143 -2213.3143 -3385.02 3385.02
2610 2.3906348e-06 -2213.3342 -2213.3342 -3382.4116 3382.4116
2620 9.7167698e-07 -2213.3364 -2213.3364 -3383.661 3383.661
2630 8.085761e-08 -2213.3365 -2213.3365 -3383.5049 3383.5049
2640 5.1929853e-07 -2213.3368 -2213.3368 -3383.3605 3383.3605
2650 8.4325579e-07 -2213.3373 -2213.3373 -3383.4696 3383.4696
2660 1.941919e-09 -2213.3373 -2213.3373 -3383.4671 3383.4671
2670 2.2772612e-08 -2213.3373 -2213.3373 -3383.4153 3383.4153
2672 3.0082056e-08 -2213.3373 -2213.3373 -3383.4043 3383.4043
Loop time of 0.168499 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.21848611 -2213.33733891 -2213.33734165
Force two-norm initial, final = 0.704414 0.00863526
Force max component initial, final = 0.106027 0.000753688
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.152023 (90.2217)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0013938 (0.827183)
Outpt time (%) = 0.00113797 (0.675358)
Other time (%) = 0.0139446 (8.27579)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2672 0 -2213.3373 -2213.3373 -3383.4043 3383.4043
2680 3.6064406e-14 -2213.3373 -2213.3373 -3383.4043 3383.4043
2690 4.5518599e-13 -2213.3373 -2213.3373 -3383.4043 3383.4043
2700 2.5288856e-12 -2213.3373 -2213.3373 -3383.4043 3383.4043
2710 1.3069874e-11 -2213.3373 -2213.3373 -3383.4044 3383.4044
2713 2.1807045e-11 -2213.3373 -2213.3373 -3383.4044 3383.4044
Loop time of 0.040802 on 1 procs for 41 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734165 -2213.33734166 -2213.33734166
Force two-norm initial, final = 0.00863526 0.00863287
Force max component initial, final = 0.000753688 0.000753405
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 41 41
Pair time (%) = 0.0368087 (90.213)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000331163 (0.811635)
Outpt time (%) = 0.000270128 (0.662047)
Other time (%) = 0.00339198 (8.31327)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2550 0 -2213.2662 -2213.2662 -3391.6073 3391.6073
2560 1.0284203e-10 -2213.2662 -2213.2662 -3391.6073 3391.6073
2570 1.1276517e-09 -2213.2662 -2213.2662 -3391.6071 3391.6071
2580 5.5074161e-09 -2213.2662 -2213.2662 -3391.6065 3391.6065
2590 2.9636522e-08 -2213.2662 -2213.2662 -3391.6032 3391.6032
2600 1.1713571e-07 -2213.2663 -2213.2663 -3391.5912 3391.5912
2610 5.6853522e-07 -2213.2666 -2213.2666 -3391.5303 3391.5303
2620 2.2488065e-06 -2213.2675 -2213.2675 -3391.3222 3391.3222
2630 1.1884429e-05 -2213.2722 -2213.2722 -3390.47 3390.47
2640 2.8874753e-05 -2213.2851 -2213.2851 -3389.5562 3389.5562
2650 6.7800478e-05 -2213.3198 -2213.3198 -3385.2151 3385.2151
2660 3.6358459e-07 -2213.3367 -2213.3367 -3383.4164 3383.4164
2670 2.6448857e-07 -2213.337 -2213.337 -3383.1967 3383.1967
2680 2.94277e-08 -2213.3371 -2213.3371 -3383.2104 3383.2104
2690 1.9648479e-07 -2213.3372 -2213.3372 -3383.2081 3383.2081
2700 2.8517721e-07 -2213.3373 -2213.3373 -3383.4294 3383.4294
2708 1.839256e-10 -2213.3374 -2213.3374 -3383.4482 3383.4482
Loop time of 0.157561 on 1 procs for 158 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26622677 -2213.33736465 -2213.33736471
Force two-norm initial, final = 0.345064 0.00785453
Force max component initial, final = 0.0373438 0.0012523
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 158 158
Pair time (%) = 0.142471 (90.4226)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00131321 (0.833461)
Outpt time (%) = 0.0011158 (0.708169)
Other time (%) = 0.0126612 (8.03575)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2708 0 -2213.3374 -2213.3374 -3383.4482 3383.4482
2709 4.3208245e-16 -2213.3374 -2213.3374 -3383.4482 3383.4482
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 =
-2213.33736471 -2213.33736471 -2213.33736471
Force two-norm initial, final = 0.00785453 0.00785453
Force max component initial, final = 0.0012523 0.0012523
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00191212 (90.1022)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.808898)
Outpt time (%) = 0 (0)
Other time (%) = 0.000192881 (9.08887)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.2668 -2213.2668 -3391.8369 3391.8369
2610 1.600484e-10 -2213.2668 -2213.2668 -3391.8369 3391.8369
2620 1.7548275e-09 -2213.2668 -2213.2668 -3391.8367 3391.8367
2630 8.568358e-09 -2213.2668 -2213.2668 -3391.8358 3391.8358
2640 4.6050094e-08 -2213.2669 -2213.2669 -3391.8308 3391.8308
2650 1.8105697e-07 -2213.2669 -2213.2669 -3391.8125 3391.8125
2660 8.5842491e-07 -2213.2673 -2213.2673 -3391.7196 3391.7196
2670 3.102761e-06 -2213.2687 -2213.2687 -3391.3947 3391.3947
2680 1.2638376e-05 -2213.2736 -2213.2736 -3390.0643 3390.0643
2690 2.8225978e-05 -2213.2863 -2213.2863 -3389.5852 3389.5852
2700 6.5903316e-05 -2213.3199 -2213.3199 -3385.281 3385.281
2710 2.0881193e-06 -2213.3348 -2213.3348 -3383.1541 3383.1541
2720 3.8989623e-07 -2213.335 -2213.335 -3383.2897 3383.2897
2730 1.1099713e-06 -2213.3356 -2213.3356 -3383.4836 3383.4836
2740 2.6726627e-06 -2213.3368 -2213.3368 -3383.9755 3383.9755
2750 3.3474295e-08 -2213.3371 -2213.3371 -3383.4306 3383.4306
2760 1.8168613e-07 -2213.3372 -2213.3372 -3383.3717 3383.3717
2770 3.3614751e-08 -2213.3373 -2213.3373 -3383.247 3383.247
2772 9.6405286e-08 -2213.3374 -2213.3374 -3383.3542 3383.3542
Loop time of 0.171 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26682443 -2213.33734035 -2213.33735039
Force two-norm initial, final = 0.430468 0.00841615
Force max component initial, final = 0.0352718 0.000761054
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.153027 (89.4895)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00139141 (0.813691)
Outpt time (%) = 0.00115824 (0.677332)
Other time (%) = 0.0154233 (9.01947)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2772 0 -2213.3374 -2213.3374 -3383.3542 3383.3542
2773 4.9608156e-16 -2213.3374 -2213.3374 -3383.3542 3383.3542
Loop time of 0.00214386 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735039 -2213.33735039 -2213.33735039
Force two-norm initial, final = 0.00841615 0.00841615
Force max component initial, final = 0.000761054 0.000761054
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018611 (86.8105)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.756228)
Outpt time (%) = 0 (0)
Other time (%) = 0.000266552 (12.4333)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2550 0 -2213.3 -2213.3 -3387.6237 3387.6237
2560 2.4508622e-10 -2213.3 -2213.3 -3387.6237 3387.6237
2570 2.6871946e-09 -2213.3 -2213.3 -3387.6238 3387.6238
2580 1.3120154e-08 -2213.3 -2213.3 -3387.6239 3387.6239
2590 7.0499101e-08 -2213.3 -2213.3 -3387.6246 3387.6246
2600 2.7684354e-07 -2213.3002 -2213.3002 -3387.6269 3387.6269
2610 1.3066377e-06 -2213.3008 -2213.3008 -3387.6365 3387.6365
2620 4.5670665e-06 -2213.3028 -2213.3028 -3387.637 3387.637
2630 1.5056089e-05 -2213.3094 -2213.3094 -3387.1577 3387.1577
2640 2.9642266e-05 -2213.321 -2213.321 -3385.3388 3385.3388
2650 2.4770566e-05 -2213.3322 -2213.3322 -3383.5394 3383.5394
2660 1.1581597e-06 -2213.3359 -2213.3359 -3382.5344 3382.5344
2670 4.0693559e-07 -2213.337 -2213.337 -3383.2838 3383.2838
2680 6.3723417e-07 -2213.3372 -2213.3372 -3383.1312 3383.1312
2690 1.1042406e-07 -2213.3373 -2213.3373 -3383.5018 3383.5018
2700 1.6760906e-08 -2213.3374 -2213.3374 -3383.366 3383.366
2710 3.3092961e-08 -2213.3374 -2213.3374 -3383.3105 3383.3105
2720 2.7895341e-09 -2213.3374 -2213.3374 -3383.4002 3383.4002
2730 8.4180711e-09 -2213.3374 -2213.3374 -3383.4256 3383.4256
2731 1.1143418e-08 -2213.3374 -2213.3374 -3383.4082 3383.4082
Loop time of 0.175805 on 1 procs for 181 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.2999915 -2213.33738508 -2213.33738595
Force two-norm initial, final = 0.53269 0.00348755
Force max component initial, final = 0.0661065 0.000325025
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 181 181
Pair time (%) = 0.159295 (90.6089)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00144696 (0.823049)
Outpt time (%) = 0.00120664 (0.686349)
Other time (%) = 0.0138564 (7.88169)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2731 0 -2213.3374 -2213.3374 -3383.4082 3383.4082
2732 8.5185842e-17 -2213.3374 -2213.3374 -3383.4082 3383.4082
Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738595 -2213.33738595 -2213.33738595
Force two-norm initial, final = 0.00348755 0.00348755
Force max component initial, final = 0.000325025 0.000325025
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018611 (89.6932)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.723888)
Outpt time (%) = 0 (0)
Other time (%) = 0.000198841 (9.5829)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.2971 -2213.2971 -3383.0833 3383.0833
2610 2.9811376e-10 -2213.2971 -2213.2971 -3383.0833 3383.0833
2620 3.2686095e-09 -2213.2971 -2213.2971 -3383.0836 3383.0836
2630 1.5959038e-08 -2213.2971 -2213.2971 -3383.0851 3383.0851
2640 8.5757275e-08 -2213.2972 -2213.2972 -3383.0931 3383.0931
2650 3.3681981e-07 -2213.2973 -2213.2973 -3383.1222 3383.1222
2660 1.5907812e-06 -2213.2981 -2213.2981 -3383.2675 3383.2675
2670 5.5607292e-06 -2213.3005 -2213.3005 -3383.7446 3383.7446
2680 1.7121233e-05 -2213.308 -2213.308 -3385.4284 3385.4284
2690 1.6246574e-05 -2213.3143 -2213.3143 -3386.3526 3386.3526
2700 3.5091752e-05 -2213.3303 -2213.3303 -3384.0827 3384.0827
2710 1.7060613e-06 -2213.3366 -2213.3366 -3383.7391 3383.7391
2720 4.990968e-07 -2213.3373 -2213.3373 -3383.2557 3383.2557
2730 4.2269212e-08 -2213.3372 -2213.3372 -3383.6682 3383.6682
2740 4.4717645e-08 -2213.3373 -2213.3373 -3383.2541 3383.2541
2750 1.3083806e-07 -2213.3373 -2213.3373 -3383.5456 3383.5456
2760 1.4476076e-07 -2213.3374 -2213.3374 -3383.3951 3383.3951
2770 1.5816675e-08 -2213.3374 -2213.3374 -3383.3984 3383.3984
2780 4.1649897e-08 -2213.3374 -2213.3374 -3383.3709 3383.3709
2790 2.2778715e-09 -2213.3374 -2213.3374 -3383.3882 3383.3882
2792 1.3247796e-08 -2213.3374 -2213.3374 -3383.3937 3383.3937
Loop time of 0.18782 on 1 procs for 192 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29711694 -2213.33738608 -2213.33738741
Force two-norm initial, final = 0.587498 0.00198184
Force max component initial, final = 0.155853 0.000189686
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 192 192
Pair time (%) = 0.169903 (90.4607)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00154567 (0.822952)
Outpt time (%) = 0.00127006 (0.676209)
Other time (%) = 0.015101 (8.04012)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2792 0 -2213.3374 -2213.3374 -3383.3937 3383.3937
2800 1.8996142e-15 -2213.3374 -2213.3374 -3383.3937 3383.3937
2810 2.3974988e-14 -2213.3374 -2213.3374 -3383.3937 3383.3937
2820 1.3316574e-13 -2213.3374 -2213.3374 -3383.3937 3383.3937
2830 6.8745955e-13 -2213.3374 -2213.3374 -3383.3937 3383.3937
2840 2.8963082e-12 -2213.3374 -2213.3374 -3383.3937 3383.3937
2850 1.2947448e-11 -2213.3374 -2213.3374 -3383.3937 3383.3937
2860 4.7616669e-11 -2213.3374 -2213.3374 -3383.3939 3383.3939
2870 1.6109455e-10 -2213.3374 -2213.3374 -3383.3942 3383.3942
2880 4.9409375e-10 -2213.3374 -2213.3374 -3383.3946 3383.3946
2890 1.4561636e-09 -2213.3374 -2213.3374 -3383.3949 3383.3949
2900 1.6019013e-12 -2213.3374 -2213.3374 -3383.395 3383.395
2910 3.3751562e-11 -2213.3374 -2213.3374 -3383.3951 3383.3951
2920 7.888829e-10 -2213.3374 -2213.3374 -3383.3953 3383.3953
2930 5.862236e-11 -2213.3374 -2213.3374 -3383.3947 3383.3947
2940 2.709888e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946
2941 2.5618299e-12 -2213.3374 -2213.3374 -3383.3946 3383.3946
Loop time of 0.14475 on 1 procs for 149 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738741 -2213.3373891 -2213.3373891
Force two-norm initial, final = 0.00198184 4.52889e-05
Force max component initial, final = 0.000189686 3.07126e-06
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 149 149
Pair time (%) = 0.130607 (90.2297)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00119638 (0.826518)
Outpt time (%) = 0.000990152 (0.684044)
Other time (%) = 0.011956 (8.25975)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2650 0 -2213.2674 -2213.2674 -3388.544 3388.544
2660 3.2480131e-10 -2213.2674 -2213.2674 -3388.544 3388.544
2670 3.561266e-09 -2213.2674 -2213.2674 -3388.5437 3388.5437
2680 1.7389043e-08 -2213.2674 -2213.2674 -3388.5427 3388.5427
2690 9.3472209e-08 -2213.2675 -2213.2675 -3388.537 3388.537
2700 3.6760421e-07 -2213.2676 -2213.2676 -3388.5163 3388.5163
2710 1.7471991e-06 -2213.2685 -2213.2685 -3388.412 3388.412
2720 6.272669e-06 -2213.2712 -2213.2712 -3388.0652 3388.0652
2730 2.3033363e-05 -2213.2814 -2213.2814 -3386.8817 3386.8817
2740 3.9991633e-05 -2213.2974 -2213.2974 -3388.5873 3388.5873
2750 6.9783388e-05 -2213.3261 -2213.3261 -3384.196 3384.196
2760 1.1589894e-06 -2213.3363 -2213.3363 -3384.4725 3384.4725
2770 4.1992304e-07 -2213.337 -2213.337 -3383.0685 3383.0685
2780 2.9345679e-08 -2213.3371 -2213.3371 -3383.5155 3383.5155
2790 1.7843383e-07 -2213.3372 -2213.3372 -3383.0415 3383.0415
2800 2.6825401e-07 -2213.3373 -2213.3373 -3383.2742 3383.2742
2810 5.2113088e-08 -2213.3374 -2213.3374 -3383.3909 3383.3909
2820 6.9536568e-09 -2213.3374 -2213.3374 -3383.4935 3383.4935
2825 1.2094121e-08 -2213.3374 -2213.3374 -3383.4439 3383.4439
Loop time of 0.169771 on 1 procs for 175 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26741921 -2213.33737938 -2213.33738067
Force two-norm initial, final = 0.613231 0.00460086
Force max component initial, final = 0.0841613 0.000494243
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 175 175
Pair time (%) = 0.154046 (90.7373)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00141335 (0.832501)
Outpt time (%) = 0.0011301 (0.665664)
Other time (%) = 0.0131819 (7.76453)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2825 0 -2213.3374 -2213.3374 -3383.4439 3383.4439
2826 1.4825294e-16 -2213.3374 -2213.3374 -3383.4439 3383.4439
Loop time of 0.00209785 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738067 -2213.33738067 -2213.33738067
Force two-norm initial, final = 0.00460086 0.00460086
Force max component initial, final = 0.000494243 0.000494243
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.001863 (88.8055)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.750085)
Outpt time (%) = 0 (0)
Other time (%) = 0.000219107 (10.4444)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.3129 -2213.3129 -3385.0412 3385.0412
2610 2.692144e-10 -2213.3129 -2213.3129 -3385.0413 3385.0413
2620 2.9517312e-09 -2213.3129 -2213.3129 -3385.0415 3385.0415
2630 1.4411493e-08 -2213.3129 -2213.3129 -3385.0423 3385.0423
2640 7.74304e-08 -2213.3129 -2213.3129 -3385.0469 3385.0469
2650 3.0395265e-07 -2213.3131 -2213.3131 -3385.0636 3385.0636
2660 1.4318632e-06 -2213.3137 -2213.3137 -3385.1447 3385.1447
2670 4.9647246e-06 -2213.3159 -2213.3159 -3385.3784 3385.3784
2680 1.5042829e-05 -2213.3223 -2213.3223 -3385.6385 3385.6385
2690 1.2534009e-05 -2213.3272 -2213.3272 -3383.5224 3383.5224
2700 1.5591141e-05 -2213.3337 -2213.3337 -3383.6874 3383.6874
2710 2.291622e-06 -2213.3357 -2213.3357 -3381.8324 3381.8324
2720 1.2254221e-06 -2213.3373 -2213.3373 -3383.4522 3383.4522
2730 1.0561795e-07 -2213.3373 -2213.3373 -3383.1509 3383.1509
2740 1.5030211e-07 -2213.3373 -2213.3373 -3383.4583 3383.4583
2750 1.1153953e-08 -2213.3374 -2213.3374 -3383.5123 3383.5123
2754 6.3160598e-08 -2213.3374 -2213.3374 -3383.4041 3383.4041
Loop time of 0.151467 on 1 procs for 154 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31286621 -2213.33737159 -2213.33737584
Force two-norm initial, final = 0.558296 0.00775078
Force max component initial, final = 0.0508422 0.000620436
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 154 154
Pair time (%) = 0.135814 (89.666)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00122404 (0.808123)
Outpt time (%) = 0.00100541 (0.663782)
Other time (%) = 0.0134232 (8.86213)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2754 0 -2213.3374 -2213.3374 -3383.4041 3383.4041
2755 4.2074303e-16 -2213.3374 -2213.3374 -3383.4041 3383.4041
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 =
-2213.33737584 -2213.33737584 -2213.33737584
Force two-norm initial, final = 0.00775078 0.00775078
Force max component initial, final = 0.000620436 0.000620436
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185013 (89.597)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.831313)
Outpt time (%) = 0 (0)
Other time (%) = 0.000197649 (9.57164)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2650 0 -2213.2666 -2213.2666 -3392.0158 3392.0158
2660 1.2650108e-10 -2213.2666 -2213.2666 -3392.0158 3392.0158
2670 1.3870157e-09 -2213.2666 -2213.2666 -3392.0156 3392.0156
2680 6.7726226e-09 -2213.2666 -2213.2666 -3392.0147 3392.0147
2690 3.640659e-08 -2213.2667 -2213.2667 -3392.0098 3392.0098
2700 1.4321195e-07 -2213.2667 -2213.2667 -3391.992 3391.992
2710 6.813986e-07 -2213.2671 -2213.2671 -3391.9022 3391.9022
2720 2.4704788e-06 -2213.2681 -2213.2681 -3391.5972 3391.5972
2730 1.0118109e-05 -2213.2726 -2213.2726 -3390.4097 3390.4097
2740 3.1226681e-05 -2213.2853 -2213.2853 -3389.6116 3389.6116
2750 8.9822928e-05 -2213.3233 -2213.3233 -3385.143 3385.143
2760 2.2753349e-06 -2213.3365 -2213.3365 -3383.7891 3383.7891
2770 4.0992164e-07 -2213.3369 -2213.3369 -3383.1569 3383.1569
2780 4.7710714e-07 -2213.3371 -2213.3371 -3383.0174 3383.0174
2790 2.024359e-07 -2213.3373 -2213.3373 -3383.3684 3383.3684
2800 2.1576772e-08 -2213.3373 -2213.3373 -3383.3362 3383.3362
2810 8.641208e-08 -2213.3373 -2213.3373 -3383.3263 3383.3263
2813 1.2304127e-07 -2213.3373 -2213.3373 -3383.3889 3383.3889
Loop time of 0.158759 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26663661 -2213.33734047 -2213.33734905
Force two-norm initial, final = 0.382703 0.0090853
Force max component initial, final = 0.0337521 0.000942166
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.144277 (90.8777)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00130892 (0.824468)
Outpt time (%) = 0.00107861 (0.679398)
Other time (%) = 0.012095 (7.61844)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2813 0 -2213.3373 -2213.3373 -3383.3889 3383.3889
2814 5.7810259e-16 -2213.3373 -2213.3373 -3383.3889 3383.3889
Loop time of 0.00206304 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734905 -2213.33734905 -2213.33734905
Force two-norm initial, final = 0.0090853 0.0090853
Force max component initial, final = 0.000942166 0.000942166
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184989 (89.6683)
Neigh time (%) = 0 (0)
Comm time (%) = 1.7643e-05 (0.855195)
Outpt time (%) = 0 (0)
Other time (%) = 0.000195503 (9.47648)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2700 0 -2213.3094 -2213.3094 -3387.1912 3387.1912
2710 9.3325203e-11 -2213.3094 -2213.3094 -3387.1912 3387.1912
2720 1.0232755e-09 -2213.3094 -2213.3094 -3387.191 3387.191
2730 4.996903e-09 -2213.3094 -2213.3094 -3387.1902 3387.1902
2740 2.687132e-08 -2213.3094 -2213.3094 -3387.1859 3387.1859
2750 1.0586752e-07 -2213.3095 -2213.3095 -3387.1702 3387.1702
2760 5.0715399e-07 -2213.3097 -2213.3097 -3387.0912 3387.0912
2770 1.8805027e-06 -2213.3105 -2213.3105 -3386.8239 3386.8239
2780 7.8182922e-06 -2213.3139 -2213.3139 -3385.7543 3385.7543
2790 1.7565972e-05 -2213.321 -2213.321 -3384.6794 3384.6794
2800 2.935201e-05 -2213.3329 -2213.3329 -3384.6777 3384.6777
2810 3.4263186e-07 -2213.3365 -2213.3365 -3384.4504 3384.4504
2820 2.2446085e-07 -2213.337 -2213.337 -3383.3297 3383.3297
2830 4.2871522e-07 -2213.3372 -2213.3372 -3383.3485 3383.3485
2840 3.6601039e-08 -2213.3373 -2213.3373 -3383.4901 3383.4901
2850 7.0343104e-08 -2213.3373 -2213.3373 -3383.5976 3383.5976
2858 2.2853801e-08 -2213.3374 -2213.3374 -3383.3426 3383.3426
Loop time of 0.154406 on 1 procs for 158 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30940628 -2213.3373529 -2213.33735618
Force two-norm initial, final = 0.328711 0.00963518
Force max component initial, final = 0.0555882 0.000891589
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 158 158
Pair time (%) = 0.139786 (90.5314)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00124264 (0.804785)
Outpt time (%) = 0.00100088 (0.648214)
Other time (%) = 0.0123765 (8.01558)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2858 0 -2213.3374 -2213.3374 -3383.3426 3383.3426
2859 6.5019894e-16 -2213.3374 -2213.3374 -3383.3426 3383.3426
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 =
-2213.33735618 -2213.33735618 -2213.33735618
Force two-norm initial, final = 0.00963518 0.00963518
Force max component initial, final = 0.000891589 0.000891589
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184417 (88.9183)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.827681)
Outpt time (%) = 0 (0)
Other time (%) = 0.000212669 (10.2541)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2650 0 -2213.2839 -2213.2839 -3387.3383 3387.3383
2660 1.3325242e-10 -2213.2839 -2213.2839 -3387.3383 3387.3383
2670 1.4610032e-09 -2213.2839 -2213.2839 -3387.3385 3387.3385
2680 7.1329858e-09 -2213.2839 -2213.2839 -3387.3391 3387.3391
2690 3.8318827e-08 -2213.2839 -2213.2839 -3387.3423 3387.3423
2700 1.503387e-07 -2213.284 -2213.284 -3387.3539 3387.3539
2710 7.0666506e-07 -2213.2843 -2213.2843 -3387.4106 3387.4106
2720 2.4474164e-06 -2213.2854 -2213.2854 -3387.5793 3387.5793
2730 8.8263583e-06 -2213.2891 -2213.2891 -3387.9339 3387.9339
2740 2.7054094e-05 -2213.2995 -2213.2995 -3387.132 3387.132
2750 5.4344384e-05 -2213.3258 -2213.3258 -3384.3896 3384.3896
2760 9.4000654e-07 -2213.3369 -2213.3369 -3383.5172 3383.5172
2770 1.8139933e-07 -2213.3371 -2213.3371 -3383.5291 3383.5291
2780 2.7823199e-07 -2213.3372 -2213.3372 -3383.4824 3383.4824
2790 1.2930188e-07 -2213.3373 -2213.3373 -3383.4283 3383.4283
2800 1.1590467e-08 -2213.3373 -2213.3373 -3383.4274 3383.4274
2810 4.1499875e-08 -2213.3374 -2213.3374 -3383.4123 3383.4123
2820 8.6050581e-09 -2213.3374 -2213.3374 -3383.4041 3383.4041
2823 2.8909877e-08 -2213.3374 -2213.3374 -3383.3901 3383.3901
Loop time of 0.167672 on 1 procs for 173 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28389711 -2213.33738144 -2213.33738187
Force two-norm initial, final = 0.392783 0.00598893
Force max component initial, final = 0.0302606 0.000441225
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 173 173
Pair time (%) = 0.152295 (90.829)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00137496 (0.820029)
Outpt time (%) = 0.00113297 (0.675703)
Other time (%) = 0.0128694 (7.67531)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2823 0 -2213.3374 -2213.3374 -3383.3902 3383.3902
2824 2.5120287e-16 -2213.3374 -2213.3374 -3383.3902 3383.3902
Loop time of 0.00207305 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738187 -2213.33738187 -2213.33738187
Force two-norm initial, final = 0.00598893 0.00598893
Force max component initial, final = 0.000441225 0.000441225
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184894 (89.1892)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.80506)
Outpt time (%) = 0 (0)
Other time (%) = 0.000207424 (10.0058)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2700 0 -2213.2586 -2213.2586 -3391.4328 3391.4328
2710 9.5061011e-10 -2213.2586 -2213.2586 -3391.4328 3391.4328
2720 1.0422314e-08 -2213.2586 -2213.2586 -3391.4325 3391.4325
2730 5.0876516e-08 -2213.2586 -2213.2586 -3391.431 3391.431
2740 2.7308652e-07 -2213.2588 -2213.2588 -3391.4227 3391.4227
2750 1.0680209e-06 -2213.2592 -2213.2592 -3391.3922 3391.3922
2760 4.9400481e-06 -2213.2616 -2213.2616 -3391.2262 3391.2262
2770 1.5962594e-05 -2213.2684 -2213.2684 -3390.526 3390.526
2780 3.2560881e-05 -2213.2815 -2213.2815 -3386.595 3386.595
2790 4.0610718e-05 -2213.2964 -2213.2964 -3389.8366 3389.8366
2800 5.6527969e-05 -2213.3224 -2213.3224 -3382.6159 3382.6159
2810 1.1801052e-07 -2213.3293 -2213.3293 -3382.141 3382.141
2820 1.983121e-06 -2213.3305 -2213.3305 -3384.3946 3384.3946
2830 5.2419811e-06 -2213.3332 -2213.3332 -3383.167 3383.167
2840 1.3391532e-06 -2213.3363 -2213.3363 -3383.3399 3383.3399
2850 2.9509319e-07 -2213.3364 -2213.3364 -3383.3132 3383.3132
2860 1.0713274e-06 -2213.3369 -2213.3369 -3383.8121 3383.8121
2870 1.2913551e-07 -2213.337 -2213.337 -3383.605 3383.605
2880 2.5920638e-07 -2213.3373 -2213.3373 -3383.5375 3383.5375
2890 2.2027453e-08 -2213.3373 -2213.3373 -3383.4382 3383.4382
2895 5.8449425e-08 -2213.3373 -2213.3373 -3383.3994 3383.3994
Loop time of 0.189467 on 1 procs for 195 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.25858867 -2213.337299 -2213.33730558
Force two-norm initial, final = 1.0491 0.00997267
Force max component initial, final = 0.121913 0.000641319
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 195 195
Pair time (%) = 0.172755 (91.1797)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00154233 (0.814036)
Outpt time (%) = 0.00126362 (0.666933)
Other time (%) = 0.0139055 (7.33929)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2895 0 -2213.3373 -2213.3373 -3383.3994 3383.3994
2896 6.9654552e-16 -2213.3373 -2213.3373 -3383.3994 3383.3994
Loop time of 0.00206304 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33730558 -2213.33730558 -2213.33730558
Force two-norm initial, final = 0.00997267 0.00997267
Force max component initial, final = 0.000641319 0.000641319
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184917 (89.6337)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.878308)
Outpt time (%) = 0 (0)
Other time (%) = 0.000195742 (9.48804)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2750 0 -2213.2899 -2213.2899 -3391.4875 3391.4875
2760 1.548515e-10 -2213.2899 -2213.2899 -3391.4875 3391.4875
2770 1.6978675e-09 -2213.2899 -2213.2899 -3391.4872 3391.4872
2780 8.2906036e-09 -2213.2899 -2213.2899 -3391.4859 3391.4859
2790 4.4569879e-08 -2213.2899 -2213.2899 -3391.4785 3391.4785
2800 1.7538151e-07 -2213.29 -2213.29 -3391.4519 3391.4519
2810 8.3554157e-07 -2213.2904 -2213.2904 -3391.3174 3391.3174
2820 3.0429225e-06 -2213.2917 -2213.2917 -3390.8638 3390.8638
2830 1.2483487e-05 -2213.297 -2213.297 -3389.1303 3389.1303
2840 3.4195467e-05 -2213.31 -2213.31 -3388.5166 3388.5166
2850 4.819787e-05 -2213.3313 -2213.3313 -3383.8253 3383.8253
2860 1.7448916e-06 -2213.3348 -2213.3348 -3382.6208 3382.6208
2870 2.0026503e-07 -2213.3362 -2213.3362 -3382.722 3382.722
2880 9.494359e-07 -2213.3368 -2213.3368 -3383.0212 3383.0212
2890 2.3712436e-07 -2213.3372 -2213.3372 -3383.3224 3383.3224
2900 4.1354604e-08 -2213.3372 -2213.3372 -3383.3319 3383.3319
2910 1.9074533e-07 -2213.3373 -2213.3373 -3383.3757 3383.3757
2916 2.0419819e-08 -2213.3373 -2213.3373 -3383.4025 3383.4025
Loop time of 0.165023 on 1 procs for 166 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28989121 -2213.33731511 -2213.3373168
Force two-norm initial, final = 0.423421 0.00980518
Force max component initial, final = 0.0519817 0.000855214
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 166 166
Pair time (%) = 0.146823 (88.9714)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00132251 (0.801408)
Outpt time (%) = 0.00108624 (0.658232)
Other time (%) = 0.0157909 (9.56893)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2916 0 -2213.3373 -2213.3373 -3383.4025 3383.4025
2917 6.7334467e-16 -2213.3373 -2213.3373 -3383.4025 3383.4025
Loop time of 0.00213313 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373168 -2213.3373168 -2213.3373168
Force two-norm initial, final = 0.00980518 0.00980518
Force max component initial, final = 0.000855214 0.000855214
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185895 (87.1465)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.782385)
Outpt time (%) = 0 (0)
Other time (%) = 0.000257492 (12.0711)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2700 0 -2213.3146 -2213.3146 -3373.9619 3373.9619
2710 2.5457349e-10 -2213.3146 -2213.3146 -3373.9621 3373.9621
2720 2.7911356e-09 -2213.3146 -2213.3146 -3373.9642 3373.9642
2730 1.3625821e-08 -2213.3146 -2213.3146 -3373.9734 3373.9734
2740 7.3163787e-08 -2213.3147 -2213.3147 -3374.0237 3374.0237
2750 2.8652294e-07 -2213.3148 -2213.3148 -3374.2065 3374.2065
2760 1.3339075e-06 -2213.3154 -2213.3154 -3375.1186 3375.1186
2770 4.4126407e-06 -2213.3173 -2213.3173 -3378.079 3378.079
2780 9.6683445e-06 -2213.3214 -2213.3214 -3387.3904 3387.3904
2790 1.0218743e-05 -2213.3251 -2213.3251 -3383.3405 3383.3405
2800 1.7494008e-05 -2213.3326 -2213.3326 -3384.8353 3384.8353
2810 1.9593133e-06 -2213.3358 -2213.3358 -3382.6895 3382.6895
2820 2.1480141e-07 -2213.3373 -2213.3373 -3383.4412 3383.4412
2830 2.3682117e-07 -2213.3374 -2213.3374 -3383.2715 3383.2715
2840 9.3286593e-08 -2213.3374 -2213.3374 -3383.49 3383.49
2850 7.7693952e-08 -2213.3374 -2213.3374 -3383.5096 3383.5096
2860 3.1379467e-10 -2213.3374 -2213.3374 -3383.3855 3383.3855
2863 1.1217323e-09 -2213.3374 -2213.3374 -3383.3875 3383.3875
Loop time of 0.161436 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31461814 -2213.33738572 -2213.3373859
Force two-norm initial, final = 0.542903 0.00594547
Force max component initial, final = 0.0689803 0.00079796
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.144036 (89.222)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0012815 (0.793814)
Outpt time (%) = 0.00108004 (0.669019)
Other time (%) = 0.015038 (9.31516)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2863 0 -2213.3374 -2213.3374 -3383.3875 3383.3875
2870 1.2480016e-14 -2213.3374 -2213.3374 -3383.3875 3383.3875
2880 1.7233504e-13 -2213.3374 -2213.3374 -3383.3875 3383.3875
2890 1.0307103e-12 -2213.3374 -2213.3374 -3383.3875 3383.3875
2900 5.2045981e-12 -2213.3374 -2213.3374 -3383.3875 3383.3875
2910 2.2802591e-11 -2213.3374 -2213.3374 -3383.3876 3383.3876
2920 9.904873e-11 -2213.3374 -2213.3374 -3383.3878 3383.3878
2930 3.7584777e-10 -2213.3374 -2213.3374 -3383.3888 3383.3888
2940 1.1354956e-09 -2213.3374 -2213.3374 -3383.3925 3383.3925
2950 1.7110734e-09 -2213.3374 -2213.3374 -3383.4 3383.4
2960 1.7370053e-09 -2213.3374 -2213.3374 -3383.3893 3383.3893
2970 6.05698e-12 -2213.3374 -2213.3374 -3383.3799 3383.3799
2980 1.6360827e-10 -2213.3374 -2213.3374 -3383.3957 3383.3957
2990 8.4076698e-10 -2213.3374 -2213.3374 -3383.3202 3383.3202
3000 1.1215039e-11 -2213.3374 -2213.3374 -3383.3965 3383.3965
Loop time of 0.137422 on 1 procs for 137 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373859 -2213.3373891 -2213.3373891
Force two-norm initial, final = 0.00594547 0.000245054
Force max component initial, final = 0.00079796 3.3225e-05
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 137 137
Pair time (%) = 0.121582 (88.4732)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00112224 (0.816636)
Outpt time (%) = 0.000879049 (0.639672)
Other time (%) = 0.013839 (10.0705)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2750 0 -2213.2503 -2213.2503 -3383.6805 3383.6805
2760 6.3933998e-10 -2213.2503 -2213.2503 -3383.6806 3383.6806
2770 7.0097899e-09 -2213.2503 -2213.2503 -3383.6818 3383.6818
2780 3.4222611e-08 -2213.2503 -2213.2503 -3383.6871 3383.6871
2790 1.8381596e-07 -2213.2504 -2213.2504 -3383.716 3383.716
2800 7.2076664e-07 -2213.2507 -2213.2507 -3383.8207 3383.8207
2810 3.3762721e-06 -2213.2523 -2213.2523 -3384.339 3384.339
2820 1.1482521e-05 -2213.2573 -2213.2573 -3385.9673 3385.9673
2830 3.2222345e-05 -2213.2709 -2213.2709 -3390.5062 3390.5062
2840 4.8729415e-05 -2213.2896 -2213.2896 -3388.1129 3388.1129
2850 7.6420076e-05 -2213.3227 -2213.3227 -3386.0618 3386.0618
2860 5.4016962e-06 -2213.3351 -2213.3351 -3383.4933 3383.4933
2870 7.117383e-07 -2213.3356 -2213.3356 -3383.3242 3383.3242
2880 1.4412704e-06 -2213.3363 -2213.3363 -3383.5112 3383.5112
2890 2.2432109e-06 -2213.337 -2213.337 -3382.8985 3382.8985
2900 1.7525078e-08 -2213.3372 -2213.3372 -3383.3911 3383.3911
2910 9.9277993e-08 -2213.3373 -2213.3373 -3383.4452 3383.4452
2919 1.1670833e-08 -2213.3373 -2213.3373 -3383.4027 3383.4027
Loop time of 0.167042 on 1 procs for 169 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.2502563 -2213.33733666 -2213.33733823
Force two-norm initial, final = 0.860363 0.00942471
Force max component initial, final = 0.121147 0.00072731
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 169 169
Pair time (%) = 0.149282 (89.3676)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00136971 (0.819982)
Outpt time (%) = 0.00107121 (0.641285)
Other time (%) = 0.0153196 (9.1711)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2919 0 -2213.3373 -2213.3373 -3383.4027 3383.4027
2920 6.2210286e-16 -2213.3373 -2213.3373 -3383.4027 3383.4027
Loop time of 0.00224614 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733823 -2213.33733823 -2213.33733823
Force two-norm initial, final = 0.00942471 0.00942471
Force max component initial, final = 0.00072731 0.00072731
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00197983 (88.1435)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.753635)
Outpt time (%) = 0 (0)
Other time (%) = 0.000249386 (11.1029)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2800 0 -2213.3077 -2213.3077 -3386.6934 3386.6934
2810 9.403944e-11 -2213.3077 -2213.3077 -3386.6934 3386.6934
2820 1.031099e-09 -2213.3077 -2213.3077 -3386.6934 3386.6934
2830 5.0349323e-09 -2213.3077 -2213.3077 -3386.6936 3386.6936
2840 2.7070734e-08 -2213.3077 -2213.3077 -3386.6948 3386.6948
2850 1.0657841e-07 -2213.3077 -2213.3077 -3386.6989 3386.6989
2860 5.0879429e-07 -2213.308 -2213.308 -3386.7193 3386.7193
2870 1.8632709e-06 -2213.3088 -2213.3088 -3386.7812 3386.7812
2880 7.309896e-06 -2213.312 -2213.312 -3386.9237 3386.9237
2890 1.7557923e-05 -2213.3194 -2213.3194 -3386.5585 3386.5585
2900 3.1325878e-05 -2213.3329 -2213.3329 -3383.871 3383.871
2910 5.0193981e-07 -2213.3363 -2213.3363 -3382.5806 3382.5806
2920 4.0602792e-08 -2213.337 -2213.337 -3383.2678 3383.2678
2930 1.9352651e-08 -2213.3371 -2213.3371 -3383.0827 3383.0827
2940 1.9894753e-07 -2213.3372 -2213.3372 -3383.1314 3383.1314
2950 3.0326746e-07 -2213.3374 -2213.3374 -3383.4321 3383.4321
2955 2.1354897e-09 -2213.3374 -2213.3374 -3383.4361 3383.4361
Loop time of 0.15109 on 1 procs for 155 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30766026 -2213.3373787 -2213.3373791
Force two-norm initial, final = 0.329967 0.00469731
Force max component initial, final = 0.0636933 0.000376642
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 155 155
Pair time (%) = 0.136514 (90.3526)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00124884 (0.826552)
Outpt time (%) = 0.000988007 (0.65392)
Other time (%) = 0.0123394 (8.16689)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2955 0 -2213.3374 -2213.3374 -3383.4361 3383.4361
2956 1.5453424e-16 -2213.3374 -2213.3374 -3383.4361 3383.4361
Loop time of 0.00210309 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373791 -2213.3373791 -2213.3373791
Force two-norm initial, final = 0.00469731 0.00469731
Force max component initial, final = 0.000376642 0.000376642
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185513 (88.21)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.816234)
Outpt time (%) = 0 (0)
Other time (%) = 0.000230789 (10.9738)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2750 0 -2213.3254 -2213.3254 -3384.6162 3384.6162
2760 1.7695438e-10 -2213.3254 -2213.3254 -3384.6162 3384.6162
2770 1.9401878e-09 -2213.3254 -2213.3254 -3384.6161 3384.6161
2780 9.4732885e-09 -2213.3255 -2213.3255 -3384.6161 3384.6161
2790 5.0910998e-08 -2213.3255 -2213.3255 -3384.6158 3384.6158
2800 2.0009783e-07 -2213.3256 -2213.3256 -3384.6148 3384.6148
2810 9.471496e-07 -2213.326 -2213.326 -3384.6083 3384.6083
2820 3.3625196e-06 -2213.3275 -2213.3275 -3384.5724 3384.5724
2830 1.0949308e-05 -2213.3317 -2213.3317 -3384.1972 3384.1972
2840 5.3177821e-06 -2213.3337 -2213.3337 -3383.7235 3383.7235
2850 5.0810605e-06 -2213.3358 -2213.3358 -3383.2819 3383.2819
2860 1.3337106e-06 -2213.3369 -2213.3369 -3383.2531 3383.2531
2870 1.3751651e-07 -2213.3371 -2213.3371 -3383.2684 3383.2684
2880 1.9875247e-07 -2213.3372 -2213.3372 -3383.4003 3383.4003
2890 2.9091841e-07 -2213.3373 -2213.3373 -3383.651 3383.651
2900 7.8671389e-09 -2213.3374 -2213.3374 -3383.4191 3383.4191
2910 2.9677589e-08 -2213.3374 -2213.3374 -3383.3969 3383.3969
2919 3.0965781e-09 -2213.3374 -2213.3374 -3383.3977 3383.3977
Loop time of 0.163813 on 1 procs for 169 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32544812 -2213.33737982 -2213.33738024
Force two-norm initial, final = 0.452633 0.00468183
Force max component initial, final = 0.0407944 0.000388237
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 169 169
Pair time (%) = 0.148484 (90.6427)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00135374 (0.826395)
Outpt time (%) = 0.00105047 (0.641264)
Other time (%) = 0.0129242 (7.88961)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2919 0 -2213.3374 -2213.3374 -3383.3977 3383.3977
2920 1.5351744e-16 -2213.3374 -2213.3374 -3383.3977 3383.3977
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 =
-2213.33738024 -2213.33738024 -2213.33738024
Force two-norm initial, final = 0.00468183 0.00468183
Force max component initial, final = 0.000388237 0.000388237
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00198483 (90.3418)
Neigh time (%) = 0 (0)
Comm time (%) = 1.45435e-05 (0.661964)
Outpt time (%) = 0 (0)
Other time (%) = 0.000197649 (8.9962)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2800 0 -2213.2914 -2213.2914 -3383.0687 3383.0687
2810 2.156113e-10 -2213.2914 -2213.2914 -3383.0687 3383.0687
2820 2.3640096e-09 -2213.2914 -2213.2914 -3383.0695 3383.0695
2830 1.1542043e-08 -2213.2914 -2213.2914 -3383.0727 3383.0727
2840 6.2011692e-08 -2213.2915 -2213.2915 -3383.0906 3383.0906
2850 2.4345714e-07 -2213.2916 -2213.2916 -3383.1553 3383.1553
2860 1.1466465e-06 -2213.2921 -2213.2921 -3383.4779 3383.4779
2870 4.0039609e-06 -2213.2938 -2213.2938 -3384.5224 3384.5224
2880 1.3131612e-05 -2213.299 -2213.299 -3387.8392 3387.8392
2890 2.1890946e-05 -2213.3079 -2213.3079 -3386.9569 3386.9569
2900 4.0186948e-05 -2213.3276 -2213.3276 -3384.5429 3384.5429
2910 2.6276004e-06 -2213.3358 -2213.3358 -3383.0698 3383.0698
2920 2.5562189e-07 -2213.336 -2213.336 -3383.0778 3383.0778
2930 7.242873e-07 -2213.3364 -2213.3364 -3383.2941 3383.2941
2940 1.5040753e-06 -2213.3371 -2213.3371 -3382.6649 3382.6649
2950 1.6412566e-08 -2213.3372 -2213.3372 -3383.451 3383.451
2960 1.022563e-07 -2213.3373 -2213.3373 -3383.5629 3383.5629
2969 1.3451e-08 -2213.3373 -2213.3373 -3383.4045 3383.4045
Loop time of 0.167518 on 1 procs for 169 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29141735 -2213.33733361 -2213.33733525
Force two-norm initial, final = 0.499633 0.00892127
Force max component initial, final = 0.0972565 0.00067889
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 169 169
Pair time (%) = 0.149909 (89.4885)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00136042 (0.812101)
Outpt time (%) = 0.00106168 (0.633769)
Other time (%) = 0.0151865 (9.06561)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2969 0 -2213.3373 -2213.3373 -3383.4045 3383.4045
2970 5.5741578e-16 -2213.3373 -2213.3373 -3383.4045 3383.4045
Loop time of 0.00227714 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733525 -2213.33733525 -2213.33733525
Force two-norm initial, final = 0.00892127 0.00892127
Force max component initial, final = 0.00067889 0.00067889
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00199175 (87.4673)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.659617)
Outpt time (%) = 0 (0)
Other time (%) = 0.000270367 (11.8731)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2850 0 -2213.3032 -2213.3032 -3384.7419 3384.7419
2860 3.8134359e-10 -2213.3032 -2213.3032 -3384.7419 3384.7419
2870 4.1809854e-09 -2213.3033 -2213.3033 -3384.7421 3384.7421
2880 2.040963e-08 -2213.3033 -2213.3033 -3384.7428 3384.7428
2890 1.0955482e-07 -2213.3033 -2213.3033 -3384.7468 3384.7468
2900 4.2853406e-07 -2213.3035 -2213.3035 -3384.7612 3384.7612
2910 1.9835133e-06 -2213.3045 -2213.3045 -3384.8278 3384.8278
2920 6.4423013e-06 -2213.3072 -2213.3072 -3384.9833 3384.9833
2930 1.3879655e-05 -2213.3126 -2213.3126 -3384.7858 3384.7858
2940 1.7836518e-05 -2213.3197 -2213.3197 -3385.1351 3385.1351
2950 2.3469605e-05 -2213.331 -2213.331 -3382.8648 3382.8648
2960 2.4477267e-06 -2213.3353 -2213.3353 -3384.0894 3384.0894
2970 6.7879134e-07 -2213.3357 -2213.3357 -3383.6386 3383.6386
2980 1.3520132e-06 -2213.3364 -2213.3364 -3383.5703 3383.5703
2990 2.0246054e-07 -2213.3369 -2213.3369 -3383.8862 3383.8862
3000 5.9682768e-08 -2213.337 -2213.337 -3383.3185 3383.3185
3010 2.2767653e-07 -2213.3371 -2213.3371 -3383.3836 3383.3836
3020 4.3647065e-07 -2213.3373 -2213.3373 -3383.2774 3383.2774
3030 1.0555807e-08 -2213.3373 -2213.3373 -3383.4254 3383.4254
3033 1.794923e-08 -2213.3373 -2213.3373 -3383.4045 3383.4045
Loop time of 0.183207 on 1 procs for 183 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30324955 -2213.33733688 -2213.3373379
Force two-norm initial, final = 0.664468 0.00838472
Force max component initial, final = 0.0842257 0.000647751
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 183 183
Pair time (%) = 0.161125 (87.9468)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00143862 (0.785242)
Outpt time (%) = 0.00119019 (0.64964)
Other time (%) = 0.0194535 (10.6183)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3033 0 -2213.3373 -2213.3373 -3383.4045 3383.4045
3034 4.9238329e-16 -2213.3373 -2213.3373 -3383.4045 3383.4045
Loop time of 0.00223398 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373379 -2213.3373379 -2213.3373379
Force two-norm initial, final = 0.00838472 0.00838472
Force max component initial, final = 0.000647751 0.000647751
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184703 (82.6788)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.715048)
Outpt time (%) = 0 (0)
Other time (%) = 0.000370979 (16.6062)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2800 0 -2213.2992 -2213.2992 -3398.9572 3398.9572
2810 1.62796e-10 -2213.2992 -2213.2992 -3398.9571 3398.9571
2820 1.7849008e-09 -2213.2993 -2213.2993 -3398.9555 3398.9555
2830 8.7137701e-09 -2213.2993 -2213.2993 -3398.9483 3398.9483
2840 4.6795227e-08 -2213.2993 -2213.2993 -3398.9094 3398.9094
2850 1.8334674e-07 -2213.2994 -2213.2994 -3398.7676 3398.7676
2860 8.5615245e-07 -2213.2998 -2213.2998 -3398.0532 3398.0532
2870 2.8781179e-06 -2213.301 -2213.301 -3395.6426 3395.6426
2880 8.4930817e-06 -2213.3045 -2213.3045 -3386.4579 3386.4579
2890 1.9477078e-05 -2213.312 -2213.312 -3386.1368 3386.1368
2900 3.5892277e-05 -2213.3295 -2213.3295 -3380.6322 3380.6322
2910 2.024221e-06 -2213.3359 -2213.3359 -3375.6113 3375.6113
2920 1.1027014e-06 -2213.3372 -2213.3372 -3384.0386 3384.0386
2930 3.4255151e-08 -2213.3372 -2213.3372 -3383.2778 3383.2778
2940 1.479196e-07 -2213.3373 -2213.3373 -3383.3567 3383.3567
2950 1.9916225e-07 -2213.3374 -2213.3374 -3383.2902 3383.2902
2960 3.2596572e-09 -2213.3374 -2213.3374 -3383.4481 3383.4481
2962 8.5629609e-09 -2213.3374 -2213.3374 -3383.4025 3383.4025
Loop time of 0.160011 on 1 procs for 162 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29924988 -2213.3373856 -2213.33738681
Force two-norm initial, final = 0.434148 0.00499658
Force max component initial, final = 0.0470123 0.000634405
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 162 162
Pair time (%) = 0.142797 (89.2421)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00128984 (0.806097)
Outpt time (%) = 0.00106597 (0.666185)
Other time (%) = 0.014858 (9.28561)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2962 0 -2213.3374 -2213.3374 -3383.4025 3383.4025
2963 1.7485244e-16 -2213.3374 -2213.3374 -3383.4025 3383.4025
Loop time of 0.00215006 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738681 -2213.33738681 -2213.33738681
Force two-norm initial, final = 0.00499658 0.00499658
Force max component initial, final = 0.000634405 0.000634405
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184798 (85.9503)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.698603)
Outpt time (%) = 0 (0)
Other time (%) = 0.000287056 (13.3511)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2850 0 -2213.2975 -2213.2975 -3388.0032 3388.0032
2860 6.0158387e-11 -2213.2975 -2213.2975 -3388.0032 3388.0032
2870 6.5962154e-10 -2213.2975 -2213.2975 -3388.0032 3388.0032
2880 3.221291e-09 -2213.2975 -2213.2975 -3388.0032 3388.0032
2890 1.7328017e-08 -2213.2975 -2213.2975 -3388.0029 3388.0029
2900 6.8357546e-08 -2213.2976 -2213.2976 -3388.0022 3388.0022
2910 3.2938108e-07 -2213.2977 -2213.2977 -3387.9978 3387.9978
2920 1.2543303e-06 -2213.2983 -2213.2983 -3387.9785 3387.9785
2930 6.1176073e-06 -2213.3008 -2213.3008 -3387.8095 3387.8095
2940 2.036101e-05 -2213.3086 -2213.3086 -3386.8052 3386.8052
2950 4.459042e-05 -2213.3292 -2213.3292 -3384.4988 3384.4988
2960 1.4776271e-07 -2213.3371 -2213.3371 -3383.3989 3383.3989
2970 6.300268e-08 -2213.3372 -2213.3372 -3383.0808 3383.0808
2980 1.1737782e-07 -2213.3373 -2213.3373 -3383.3264 3383.3264
2990 1.4209345e-08 -2213.3373 -2213.3373 -3383.4507 3383.4507
2992 2.8626714e-08 -2213.3374 -2213.3374 -3383.3637 3383.3637
Loop time of 0.141095 on 1 procs for 142 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29751659 -2213.33734781 -2213.33735012
Force two-norm initial, final = 0.263914 0.0095007
Force max component initial, final = 0.028895 0.0018893
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 142 142
Pair time (%) = 0.125732 (89.1116)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00114226 (0.80957)
Outpt time (%) = 0.000941277 (0.667122)
Other time (%) = 0.0132794 (9.41169)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2992 0 -2213.3374 -2213.3374 -3383.3637 3383.3637
2993 6.3217506e-16 -2213.3374 -2213.3374 -3383.3637 3383.3637
Loop time of 0.00215197 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735012 -2213.33735012 -2213.33735012
Force two-norm initial, final = 0.0095007 0.0095007
Force max component initial, final = 0.0018893 0.0018893
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185061 (85.996)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.775537)
Outpt time (%) = 0 (0)
Other time (%) = 0.000284672 (13.2285)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2900 0 -2213.2605 -2213.2605 -3387.5326 3387.5326
2910 2.5786487e-10 -2213.2605 -2213.2605 -3387.5327 3387.5327
2920 2.8273782e-09 -2213.2605 -2213.2605 -3387.5331 3387.5331
2930 1.380642e-08 -2213.2605 -2213.2605 -3387.5348 3387.5348
2940 7.4236593e-08 -2213.2606 -2213.2606 -3387.5441 3387.5441
2950 2.9231768e-07 -2213.2607 -2213.2607 -3387.578 3387.578
2960 1.3972806e-06 -2213.2614 -2213.2614 -3387.7467 3387.7467
2970 5.1355943e-06 -2213.2636 -2213.2636 -3388.2863 3388.2863
2980 2.1163083e-05 -2213.2728 -2213.2728 -3389.9205 3389.9205
2990 4.9315649e-05 -2213.291 -2213.291 -3388.1711 3388.1711
3000 7.628635e-05 -2213.3248 -2213.3248 -3384.5945 3384.5945
3010 7.4679494e-07 -2213.3362 -2213.3362 -3382.9442 3382.9442
3020 2.9577906e-07 -2213.3368 -2213.3368 -3383.5403 3383.5403
3030 5.9795123e-07 -2213.3372 -2213.3372 -3383.4003 3383.4003
3040 7.1633161e-08 -2213.3372 -2213.3372 -3383.1957 3383.1957
3050 2.8745135e-08 -2213.3373 -2213.3373 -3383.4295 3383.4295
3059 1.0052915e-07 -2213.3373 -2213.3373 -3383.3704 3383.3704
Loop time of 0.154929 on 1 procs for 159 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26050682 -2213.33733576 -2213.33734253
Force two-norm initial, final = 0.5464 0.00890134
Force max component initial, final = 0.109358 0.000869585
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 159 159
Pair time (%) = 0.141114 (91.0827)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00127816 (0.824999)
Outpt time (%) = 0.000995159 (0.642333)
Other time (%) = 0.0115421 (7.44992)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3059 0 -2213.3373 -2213.3373 -3383.3704 3383.3704
3060 5.5492894e-16 -2213.3373 -2213.3373 -3383.3704 3383.3704
Loop time of 0.00219584 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734253 -2213.33734253 -2213.33734253
Force two-norm initial, final = 0.00890134 0.00890134
Force max component initial, final = 0.000869585 0.000869585
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00198507 (90.4017)
Neigh time (%) = 0 (0)
Comm time (%) = 1.33514e-05 (0.608035)
Outpt time (%) = 0 (0)
Other time (%) = 0.000197411 (8.99023)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2850 0 -2213.2962 -2213.2962 -3380.2048 3380.2048
2860 5.6594065e-10 -2213.2962 -2213.2962 -3380.2049 3380.2049
2870 6.204834e-09 -2213.2962 -2213.2962 -3380.206 3380.206
2880 3.0287971e-08 -2213.2962 -2213.2962 -3380.2107 3380.2107
2890 1.6255072e-07 -2213.2963 -2213.2963 -3380.2366 3380.2366
2900 6.3531807e-07 -2213.2966 -2213.2966 -3380.3302 3380.3302
2910 2.9302533e-06 -2213.298 -2213.298 -3380.7914 3380.7914
2920 9.3502494e-06 -2213.302 -2213.302 -3382.218 3382.218
2930 1.8134386e-05 -2213.3092 -2213.3092 -3385.9892 3385.9892
2940 2.2277211e-05 -2213.3179 -2213.3179 -3385.2033 3385.2033
2950 2.7885546e-05 -2213.3302 -2213.3302 -3385.3276 3385.3276
2960 1.6131301e-05 -2213.3355 -2213.3355 -3383.9853 3383.9853
2970 7.424147e-07 -2213.3362 -2213.3362 -3383.3387 3383.3387
2980 1.1720262e-06 -2213.3367 -2213.3367 -3383.4605 3383.4605
2990 3.9493688e-07 -2213.3371 -2213.3371 -3383.4911 3383.4911
3000 9.7623995e-08 -2213.3371 -2213.3371 -3383.4392 3383.4392
3010 2.2086447e-07 -2213.3372 -2213.3372 -3383.3904 3383.3904
3020 7.1453715e-08 -2213.3373 -2213.3373 -3383.4009 3383.4009
3030 8.6240245e-09 -2213.3373 -2213.3373 -3383.3899 3383.3899
3040 2.4320353e-08 -2213.3373 -2213.3373 -3383.401 3383.401
3048 8.1441842e-08 -2213.3373 -2213.3373 -3383.4034 3383.4034
Loop time of 0.195716 on 1 procs for 198 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29616793 -2213.33733397 -2213.33734077
Force two-norm initial, final = 0.809472 0.00796232
Force max component initial, final = 0.101619 0.000566891
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 198 198
Pair time (%) = 0.173822 (88.8133)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00157094 (0.802663)
Outpt time (%) = 0.00125527 (0.641375)
Other time (%) = 0.019068 (9.74269)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3048 0 -2213.3373 -2213.3373 -3383.4034 3383.4034
3050 1.7760937e-15 -2213.3373 -2213.3373 -3383.4034 3383.4034
3060 9.3190644e-14 -2213.3373 -2213.3373 -3383.4034 3383.4034
3070 8.74032e-13 -2213.3373 -2213.3373 -3383.4034 3383.4034
3080 4.0399254e-12 -2213.3373 -2213.3373 -3383.4034 3383.4034
3090 2.1520735e-11 -2213.3373 -2213.3373 -3383.4034 3383.4034
3100 8.3216613e-11 -2213.3373 -2213.3373 -3383.4034 3383.4034
3110 4.010701e-10 -2213.3373 -2213.3373 -3383.4035 3383.4035
3115 7.4506593e-10 -2213.3373 -2213.3373 -3383.4036 3383.4036
Loop time of 0.0674729 on 1 procs for 67 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734077 -2213.33734118 -2213.33734123
Force two-norm initial, final = 0.00796232 0.00780619
Force max component initial, final = 0.000566891 0.000541564
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 67 67
Pair time (%) = 0.0595963 (88.3262)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000530243 (0.78586)
Outpt time (%) = 0.0004704 (0.697168)
Other time (%) = 0.00687599 (10.1907)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2900 0 -2213.3079 -2213.3079 -3383.9409 3383.9409
2910 9.4996209e-11 -2213.3079 -2213.3079 -3383.9409 3383.9409
2920 1.0415917e-09 -2213.3079 -2213.3079 -3383.9411 3383.9411
2930 5.0862511e-09 -2213.3079 -2213.3079 -3383.942 3383.942
2940 2.7348377e-08 -2213.308 -2213.308 -3383.9471 3383.9471
2950 1.0771025e-07 -2213.308 -2213.308 -3383.9656 3383.9656
2960 5.1485134e-07 -2213.3083 -2213.3083 -3384.0583 3384.0583
2970 1.9003805e-06 -2213.3091 -2213.3091 -3384.3635 3384.3635
2980 7.6022051e-06 -2213.3123 -2213.3123 -3385.4347 3385.4347
2990 1.5542934e-05 -2213.3188 -2213.3188 -3385.5878 3385.5878
3000 2.9484101e-05 -2213.3318 -2213.3318 -3383.7931 3383.7931
3010 2.0857341e-07 -2213.337 -2213.337 -3383.5257 3383.5257
3020 1.2444496e-07 -2213.3372 -2213.3372 -3383.4076 3383.4076
3030 2.5545194e-07 -2213.3373 -2213.3373 -3383.4059 3383.4059
3040 2.1224936e-08 -2213.3373 -2213.3373 -3383.428 3383.428
3050 4.922348e-08 -2213.3374 -2213.3374 -3383.3686 3383.3686
3052 5.1489597e-08 -2213.3374 -2213.3374 -3383.3935 3383.3935
Loop time of 0.152908 on 1 procs for 152 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30793757 -2213.33736581 -2213.33736951
Force two-norm initial, final = 0.331641 0.00600408
Force max component initial, final = 0.0440265 0.000563225
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 152 152
Pair time (%) = 0.134825 (88.1742)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00121617 (0.795362)
Outpt time (%) = 0.00100899 (0.659865)
Other time (%) = 0.0158575 (10.3706)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3052 0 -2213.3374 -2213.3374 -3383.3935 3383.3935
3053 2.5247576e-16 -2213.3374 -2213.3374 -3383.3935 3383.3935
Loop time of 0.00207615 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736951 -2213.33736951 -2213.33736951
Force two-norm initial, final = 0.00600408 0.00600408
Force max component initial, final = 0.000563225 0.000563225
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184798 (89.0101)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.803859)
Outpt time (%) = 0 (0)
Other time (%) = 0.000211477 (10.186)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2950 0 -2213.2979 -2213.2979 -3387.4123 3387.4123
2960 3.2429168e-10 -2213.2979 -2213.2979 -3387.4123 3387.4123
2970 3.5555317e-09 -2213.2979 -2213.2979 -3387.4124 3387.4124
2980 1.7357708e-08 -2213.2979 -2213.2979 -3387.4128 3387.4128
2990 9.3208018e-08 -2213.298 -2213.298 -3387.4149 3387.4149
3000 3.6513241e-07 -2213.2982 -2213.2982 -3387.4223 3387.4223
3010 1.7022192e-06 -2213.299 -2213.299 -3387.4552 3387.4552
3020 5.683349e-06 -2213.3014 -2213.3014 -3387.509 3387.509
3030 1.402215e-05 -2213.3072 -2213.3072 -3386.9239 3386.9239
3040 1.9842839e-05 -2213.3149 -2213.3149 -3385.3351 3385.3351
3050 3.2686269e-05 -2213.3298 -2213.3298 -3384.9309 3384.9309
3060 4.0761844e-06 -2213.3358 -2213.3358 -3383.6221 3383.6221
3070 4.8807797e-07 -2213.3361 -2213.3361 -3383.6491 3383.6491
3080 1.0819262e-06 -2213.3366 -2213.3366 -3383.5599 3383.5599
3090 1.2055739e-07 -2213.337 -2213.337 -3383.2923 3383.2923
3100 3.3613833e-08 -2213.3371 -2213.3371 -3383.4653 3383.4653
3110 1.5812496e-07 -2213.3371 -2213.3371 -3383.4136 3383.4136
3120 3.7092307e-07 -2213.3373 -2213.3373 -3383.4037 3383.4037
3125 7.8565455e-08 -2213.3373 -2213.3373 -3383.4148 3383.4148
Loop time of 0.171276 on 1 procs for 175 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29793441 -2213.33733108 -2213.33733983
Force two-norm initial, final = 0.612751 0.00942964
Force max component initial, final = 0.0619012 0.000649515
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 175 175
Pair time (%) = 0.154675 (90.3077)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0014174 (0.827552)
Outpt time (%) = 0.00113511 (0.662737)
Other time (%) = 0.0140481 (8.20202)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3125 0 -2213.3373 -2213.3373 -3383.4148 3383.4148
3126 6.2275443e-16 -2213.3373 -2213.3373 -3383.4148 3383.4148
Loop time of 0.00207901 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733983 -2213.33733983 -2213.33733983
Force two-norm initial, final = 0.00942964 0.00942964
Force max component initial, final = 0.000649515 0.000649515
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (89.0367)
Neigh time (%) = 0 (0)
Comm time (%) = 1.78814e-05 (0.860092)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210047 (10.1032)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3000 0 -2213.277 -2213.277 -3391.6581 3391.6581
3010 4.0672859e-10 -2213.277 -2213.277 -3391.6581 3391.6581
3020 4.4593363e-09 -2213.277 -2213.277 -3391.658 3391.658
3030 2.1769213e-08 -2213.277 -2213.277 -3391.6576 3391.6576
3040 1.1687526e-07 -2213.2771 -2213.2771 -3391.655 3391.655
3050 4.5751471e-07 -2213.2773 -2213.2773 -3391.6453 3391.6453
3060 2.1253229e-06 -2213.2783 -2213.2783 -3391.5907 3391.5907
3070 6.996351e-06 -2213.2813 -2213.2813 -3391.3353 3391.3353
3080 1.575108e-05 -2213.2877 -2213.2877 -3389.4578 3389.4578
3090 2.4655459e-05 -2213.2975 -2213.2975 -3388.2555 3388.2555
3100 5.5802104e-05 -2213.3241 -2213.3241 -3384.5886 3384.5886
3110 6.0846116e-06 -2213.3353 -2213.3353 -3383.1918 3383.1918
3120 5.6295836e-07 -2213.3355 -2213.3355 -3383.1706 3383.1706
3130 1.0451297e-06 -2213.336 -2213.336 -3383.3477 3383.3477
3140 3.2711188e-06 -2213.3368 -2213.3368 -3384.0495 3384.0495
3150 3.1407877e-08 -2213.3371 -2213.3371 -3383.4737 3383.4737
3160 1.62497e-07 -2213.3372 -2213.3372 -3383.3605 3383.3605
3170 3.171707e-08 -2213.3373 -2213.3373 -3383.2134 3383.2134
3172 9.180213e-08 -2213.3374 -2213.3374 -3383.3516 3383.3516
Loop time of 0.169297 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27699844 -2213.33734711 -2213.33735699
Force two-norm initial, final = 0.686228 0.00856208
Force max component initial, final = 0.0925357 0.000713214
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.151946 (89.7509)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00138927 (0.820608)
Outpt time (%) = 0.00112462 (0.664289)
Other time (%) = 0.0148375 (8.76419)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3172 0 -2213.3374 -2213.3374 -3383.3516 3383.3516
3173 5.1343405e-16 -2213.3374 -2213.3374 -3383.3516 3383.3516
Loop time of 0.002141 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735699 -2213.33735699 -2213.33735699
Force two-norm initial, final = 0.00856208 0.00856208
Force max component initial, final = 0.000713214 0.000713214
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184917 (86.3697)
Neigh time (%) = 0 (0)
Comm time (%) = 1.52588e-05 (0.712695)
Outpt time (%) = 0 (0)
Other time (%) = 0.000276566 (12.9176)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Loop time of 39.2004 on 1 procs for 22 steps with 511 atoms
TAD stats:
NEB time (%) = 18.1761 (46.3671)
Dynamics time (%) = 0 (0)
Quench time (%) = 0 (0)
Comm time (%) = 0 (0)
Output time (%) = 0 (0)
Other time (%) = 21.0243 (53.6329)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 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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