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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10785 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-09-13 16:12:36 +00:00
parent 794c22955f
commit 1957671c28
1 changed files with 97 additions and 91 deletions
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188
examples/VISCOSITY/log.mp.2d.12Sep13
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@ -56,13 +56,13 @@ Step Temp E_pair E_mol TotEng Press
3000 1.0429232 -1.5801639 0 -0.53854441 1.157286 3000 1.0429232 -1.5801639 0 -0.53854441 1.157286
4000 1.0955206 -1.6156387 0 -0.52148756 0.94410568 4000 1.0955206 -1.6156387 0 -0.52148756 0.94410568
5000 0.94117594 -1.6155055 0 -0.67550602 0.79354125 5000 0.94117594 -1.6155055 0 -0.67550602 0.79354125
Loop time of 0.944804 on 1 procs for 5000 steps with 800 atoms Loop time of 0.942546 on 1 procs for 5000 steps with 800 atoms
Pair time (%) = 0.529388 (56.0316) Pair time (%) = 0.528146 (56.0339)
Neigh time (%) = 0.111678 (11.8202) Neigh time (%) = 0.111906 (11.8728)
Comm time (%) = 0.0178316 (1.88733) Comm time (%) = 0.0176415 (1.87169)
Outpt time (%) = 5.48363e-05 (0.00580398) Outpt time (%) = 5.19753e-05 (0.00551435)
Other time (%) = 0.285851 (30.2551) Other time (%) = 0.284801 (30.2161)
Nlocal: 800 ave 800 max 800 min Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
@ -88,7 +88,8 @@ fix 5 all ave/spatial 20 50 1000 y center 0.05 vx units reduced file profil
# equilibration run # equilibration run
variable dVx equal f_5[10][3]-f_5[1][3] variable dVx equal f_5[11][3]-f_5[1][3]
variable dVx2 equal f_5[11][3]-f_5[1][3]
thermo 1000 thermo 1000
thermo_style custom step temp epair etotal press f_4 v_dVx thermo_style custom step temp epair etotal press f_4 v_dVx
@ -97,33 +98,33 @@ WARNING: Fix viscosity comes before fix ave/spatial (../fix_viscosity.cpp:129)
Memory usage per processor = 2.07189 Mbytes Memory usage per processor = 2.07189 Mbytes
Step Temp E_pair TotEng Press 4 dVx Step Temp E_pair TotEng Press 4 dVx
5000 1 -1.6155055 -0.61675549 0.82879157 0 0 5000 1 -1.6155055 -0.61675549 0.82879157 0 0
6000 0.98975585 -1.6044976 -0.61597892 0.88929475 -39.757283 0.42593886 6000 0.98975585 -1.6044976 -0.61597892 0.88929475 -39.757283 0.48550248
7000 1.0171117 -1.6325992 -0.61675882 0.77321875 -75.466189 0.65862967 7000 1.0171117 -1.6325992 -0.61675882 0.77321875 -75.466189 0.86487832
8000 0.9983443 -1.6139399 -0.61684356 0.99800071 -108.9786 0.70669193 8000 0.9983443 -1.6139399 -0.61684356 0.99800071 -108.9786 0.89305681
9000 1.0021377 -1.617938 -0.61705295 0.96356104 -140.71079 0.70647412 9000 1.0021377 -1.617938 -0.61705295 0.96356104 -140.71079 1.0025994
10000 0.98041956 -1.5963475 -0.61715341 0.91025147 -166.90846 0.97780186 10000 0.98041956 -1.5963475 -0.61715341 0.91025147 -166.90846 1.092139
11000 0.99600832 -1.6118627 -0.61709934 0.92678088 -196.07977 1.0297476 11000 0.99600832 -1.6118627 -0.61709934 0.92678088 -196.07977 1.2437892
12000 1.0032773 -1.6185577 -0.61653447 0.83123611 -224.27343 1.2014002 12000 1.0032773 -1.6185577 -0.61653447 0.83123611 -224.27343 1.3174873
13000 0.99446644 -1.6102636 -0.61704022 1.0408681 -249.65561 1.4461765 13000 0.99446644 -1.6102636 -0.61704022 1.0408681 -249.65561 1.5231707
14000 0.99703794 -1.6124962 -0.6167046 0.88919618 -274.47539 1.4692527 14000 0.99703794 -1.6124962 -0.6167046 0.88919618 -274.47539 1.4862409
15000 0.99889843 -1.6143324 -0.61668259 1.0041418 -301.54284 1.1538268 15000 0.99889843 -1.6143324 -0.61668259 1.0041418 -301.54284 1.3956914
16000 1.0234202 -1.639108 -0.61696709 0.76317815 -330.0367 1.1365768 16000 1.0234202 -1.639108 -0.61696709 0.76317815 -330.0367 1.1891187
17000 0.98929215 -1.6045613 -0.61650577 1.0634542 -357.1234 1.2404845 17000 0.98929215 -1.6045613 -0.61650577 1.0634542 -357.1234 1.4953356
18000 1.0287489 -1.6442118 -0.61674884 0.77339567 -380.94903 1.3784319 18000 1.0287489 -1.6442118 -0.61674884 0.77339567 -380.94903 1.4938196
19000 1.0100899 -1.6257365 -0.6169092 0.87836452 -405.45675 1.4104175 19000 1.0100899 -1.6257365 -0.6169092 0.87836452 -405.45675 1.6416654
20000 1.026862 -1.641991 -0.61641257 0.70998705 -432.85955 1.2180696 20000 1.026862 -1.641991 -0.61641257 0.70998705 -432.85955 1.4197865
21000 1.0191092 -1.6350774 -0.61724212 0.95544428 -457.90745 1.2240015 21000 1.0191092 -1.6350774 -0.61724212 0.95544428 -457.90745 1.3511335
22000 1.0494154 -1.6646933 -0.61658976 0.71132454 -483.85578 1.1606127 22000 1.0494154 -1.6646933 -0.61658976 0.71132454 -483.85578 1.4183906
23000 0.99407102 -1.6095995 -0.61677106 0.87254846 -513.39632 1.2518235 23000 0.99407102 -1.6095995 -0.61677106 0.87254846 -513.39632 1.327897
24000 1.0074971 -1.6233079 -0.61707018 0.87490828 -537.79433 1.4449174 24000 1.0074971 -1.6233079 -0.61707018 0.87490828 -537.79433 1.5527118
25000 0.98809909 -1.6039328 -0.61706881 1.0343859 -564.04288 1.4316162 25000 0.98809909 -1.6039328 -0.61706881 1.0343859 -564.04288 1.4440512
Loop time of 3.07336 on 1 procs for 20000 steps with 800 atoms Loop time of 3.06212 on 1 procs for 20000 steps with 800 atoms
Pair time (%) = 2.13088 (69.3338) Pair time (%) = 2.12557 (69.4151)
Neigh time (%) = 0.477607 (15.5402) Neigh time (%) = 0.477372 (15.5896)
Comm time (%) = 0.0734417 (2.38962) Comm time (%) = 0.0730796 (2.38657)
Outpt time (%) = 0.000259161 (0.00843249) Outpt time (%) = 0.000255585 (0.00834665)
Other time (%) = 0.391175 (12.7279) Other time (%) = 0.385842 (12.6005)
Nlocal: 800 ave 800 max 800 min Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
@ -148,69 +149,74 @@ fix vave all ave/time 1000 1 1000 v_visc ave running start 26000
thermo_style custom step temp f_4 v_dVx v_visc f_vave thermo_style custom step temp f_4 v_dVx v_visc f_vave
#dump 1 all custom 100 dump.mp.2d id type x y z vx # only need to run for 5000 steps to make a good 100-frame movie
#dump 1 all custom 50 dump.mp.2d id type x y z vx
#dump 1 all image 50 image.*.jpg vx type zoom 1.6 adiam 1.2
#dump_modify 1 pad 5 amap -0.7 0.7 ca 0.0 2 min blue max red
run 50000 run 50000
Memory usage per processor = 2.11004 Mbytes Memory usage per processor = 2.11004 Mbytes
Step Temp 4 dVx visc vave Step Temp 4 dVx visc vave
25000 0.98809909 0 1.4316162 -0 0 25000 0.98809909 0 1.4440512 -0 0
26000 0.99537148 -23.157779 1.2733222 0.90934485 0.45467242 26000 0.99537148 -23.157779 1.412973 0.81946998 0.40973499
27000 0.98172329 -50.105785 1.1200918 1.1183411 0.6758953 27000 0.98172329 -50.105785 1.3197774 0.94913323 0.5895344
28000 0.98101288 -76.343112 1.2514133 1.0167586 0.76111113 28000 0.98101288 -76.343112 1.4298305 0.88988535 0.66462214
29000 0.99394022 -104.74751 1.2910989 1.0141314 0.81171518 29000 0.99394022 -104.74751 1.4403693 0.90903347 0.71350441
30000 1.0325928 -133.8316 1.1423095 1.1715879 0.87169397 30000 1.0325928 -133.8316 1.300817 1.0288272 0.76605821
31000 0.99207021 -162.86199 1.1537115 1.1763628 0.91521808 31000 0.99207021 -162.86199 1.3745462 0.98736818 0.79767392
32000 0.99574775 -195.02329 1.0309914 1.3511496 0.96970952 32000 0.99574775 -195.02329 1.3486107 1.0329323 0.82708121
33000 1.006688 -224.4372 1.1635661 1.205546 0.99591357 33000 1.006688 -224.4372 1.0930045 1.2833731 0.87778031
34000 1.0133299 -249.93292 1.3493303 1.029041 0.99922631 34000 1.0133299 -249.93292 1.3174802 1.0539181 0.89539409
35000 0.98760774 -276.64509 1.1427464 1.2104395 1.0184275 35000 0.98760774 -276.64509 1.280583 1.0801529 0.91219034
36000 1.007095 -305.71096 1.1144655 1.2468715 1.0374645 36000 1.007095 -305.71096 1.2589337 1.1037875 0.92815677
37000 0.99906577 -336.66963 1.2337889 1.1369774 1.0451194 37000 0.99906577 -336.66963 1.3461986 1.042038 0.93691686
38000 1.0084072 -363.13013 1.3542332 1.0313249 1.044134 38000 1.0084072 -363.13013 1.3332354 1.0475677 0.9448205
39000 1.0121876 -388.77058 1.2526117 1.1084571 1.0484222 39000 1.0121876 -388.77058 1.3093732 1.0604054 0.95252616
40000 1.0137703 -413.8783 1.1818774 1.1672905 1.0558515 40000 1.0137703 -413.8783 1.2429016 1.1099788 0.96236694
41000 1.0269059 -441.65914 0.92138637 1.4979436 1.0818569 41000 1.0269059 -441.65914 1.2109583 1.1397459 0.972801
42000 1.0299181 -469.53275 1.3483691 1.0241844 1.0786529 42000 1.0299181 -469.53275 1.3887845 0.9943794 0.9739998
43000 1.0114277 -496.95032 1.2993557 1.0623862 1.0777968 43000 1.0114277 -496.95032 1.3872952 0.99504239 0.97510731
44000 1.0113759 -521.99588 1.3795162 0.99576461 1.0736951 44000 1.0113759 -521.99588 1.4825577 0.92655643 0.97267976
45000 1.0141433 -548.17271 1.3207574 1.0376105 1.0719768 45000 1.0141433 -548.17271 1.33367 1.0275643 0.97529331
46000 0.99162488 -575.96021 1.3977095 0.98112936 1.0678474 46000 0.99162488 -575.96021 1.4774694 0.92816393 0.97315107
47000 1.0220618 -603.83376 1.5462099 0.88755703 1.0600087 47000 1.0220618 -603.83376 1.6136313 0.85047274 0.96781723
48000 1.0111765 -631.33375 1.341417 1.0231454 1.0584727 48000 1.0111765 -631.33375 1.4789481 0.92800056 0.9661582
49000 0.97881848 -659.55746 1.3111744 1.0479751 1.0580528 49000 0.97881848 -659.55746 1.3598401 1.0104703 0.96793068
50000 1.0216782 -685.35361 1.3794426 0.99366747 1.0555765 50000 1.0216782 -685.35361 1.5371155 0.89173987 0.96500027
51000 1.028535 -710.54876 1.2310643 1.1099663 1.0575909 51000 1.028535 -710.54876 1.4698073 0.92967286 0.96369184
52000 1.0143597 -739.56707 1.2837456 1.0668536 1.0579217 52000 1.0143597 -739.56707 1.2783137 1.071387 0.9675381
53000 1.0108168 -764.66386 1.3060981 1.0454583 1.0574919 53000 1.0108168 -764.66386 1.2950405 1.0543849 0.97053282
54000 1.0114331 -790.87474 1.240819 1.0989332 1.0588733 54000 1.0114331 -790.87474 1.4104105 0.96679451 0.97040821
55000 1.0164027 -817.72537 1.2392495 1.0997589 1.0601922 55000 1.0164027 -817.72537 1.3204046 1.0321652 0.97240037
56000 0.99176035 -844.83648 1.2950359 1.0522021 1.0599425 56000 0.99176035 -844.83648 1.4039286 0.97059029 0.9723438
57000 1.0004064 -870.94837 1.3578173 1.0022385 1.0581939 57000 1.0004064 -870.94837 1.3816966 0.98491729 0.97272482
58000 1.0117453 -900.0605 1.1632948 1.1722979 1.0615499 58000 1.0117453 -900.0605 1.2180766 1.1195749 0.97704394
59000 0.99226606 -923.07079 1.2653911 1.0727569 1.0618701 59000 0.99226606 -923.07079 1.3557206 1.0012808 0.97773642
60000 1.0031829 -952.55552 1.2676453 1.0734814 1.0621926 60000 1.0031829 -952.55552 1.3167627 1.0334387 0.9792837
61000 1.0223094 -981.61993 1.286994 1.0593375 1.0621155 61000 1.0223094 -981.61993 1.2497411 1.0909148 0.98230076
62000 1.0242885 -1012.8531 1.3191083 1.0376103 1.0614706 62000 1.0242885 -1012.8531 1.4041882 0.97474139 0.98210183
63000 0.99566343 -1041.4676 1.4601043 0.93853027 1.0583183 63000 0.99566343 -1041.4676 1.5385296 0.89068945 0.97975792
64000 0.9974131 -1067.1595 1.4441391 0.94738323 1.0555449 64000 0.9974131 -1067.1595 1.4640016 0.93452986 0.97862722
65000 1.0126848 -1095.0891 1.2932156 1.0584944 1.0556168 65000 1.0126848 -1095.0891 1.3566924 1.0089696 0.97936728
66000 1.0008861 -1120.8615 1.0981903 1.2446879 1.0601185 66000 1.0008861 -1120.8615 1.2463389 1.0967356 0.98216176
67000 1.0029467 -1146.778 1.0225731 1.3350752 1.0665129 67000 1.0029467 -1146.778 1.1837667 1.1532778 0.98614121
68000 1.0000345 -1173.301 1.0810257 1.2620454 1.0709568 68000 1.0000345 -1173.301 1.352134 1.0090002 0.98666073
69000 1.0173152 -1205.3517 1.2663892 1.0815931 1.0711932 69000 1.0173152 -1205.3517 1.2771692 1.0724639 0.98856746
70000 0.98187515 -1231.6872 1.1488964 1.1911791 1.0738015 70000 0.98187515 -1231.6872 1.3578153 1.0078995 0.98898773
71000 1.0102662 -1257.5675 1.365684 1.0009059 1.0722506 71000 1.0102662 -1257.5675 1.4279627 0.95725278 0.98831251
72000 1.0069313 -1286.4021 1.134593 1.2061707 1.0750406 72000 1.0069313 -1286.4021 1.2909422 1.0600884 0.98980784
73000 0.98551805 -1315.8466 0.9631242 1.4231534 1.0821449 73000 0.98551805 -1315.8466 1.2710878 1.0783468 0.99161476
74000 1.0249532 -1342.624 1.1303208 1.212067 1.0847434 74000 1.0249532 -1342.624 1.193001 1.1483851 0.99475017
75000 0.9987759 -1370.2176 1.1940813 1.1475077 1.085974 75000 0.9987759 -1370.2176 1.2461839 1.0995308 0.99680469
Loop time of 7.68848 on 1 procs for 50000 steps with 800 atoms Loop time of 7.65917 on 1 procs for 50000 steps with 800 atoms
Pair time (%) = 5.3275 (69.2921) Pair time (%) = 5.31327 (69.3714)
Neigh time (%) = 1.19674 (15.5654) Neigh time (%) = 1.19582 (15.6129)
Comm time (%) = 0.184742 (2.40284) Comm time (%) = 0.183408 (2.39462)
Outpt time (%) = 0.000782728 (0.0101805) Outpt time (%) = 0.000780344 (0.0101884)
Other time (%) = 0.978711 (12.7296) Other time (%) = 0.965895 (12.611)
Nlocal: 800 ave 800 max 800 min Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0