git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@967 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
@ -1,109 +0,0 @@
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LAMMPS (22 June 2007)
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# 2d NEMD simulation
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units lj
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atom_style atomic
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dimension 2d
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lattice sq2 0.8442
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Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
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region box prism 0 10 0 8 -0.5 0.5 0 0 0
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create_box 2 box
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Created triclinic box = (0 0 -0.769595) to (15.3919 12.3135 0.769595) with tilt (0 0 0)
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2 by 2 by 1 processor grid
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create_atoms 1 box
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Created 160 atoms
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mass * 1.0
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velocity all create 1.44 87287 loop geom
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region slice block 4 6 INF INF INF INF
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set region slice type 2
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40 settings made for type
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pair_style lj/cut 2.5
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pair_coeff * * 1.0 1.0 1.0
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neighbor 0.3 bin
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neigh_modify delay 0 every 1
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fix 1 all nvt/sllod 1.0 1.0 1.0
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fix 2 all deform 1 xy erate 0.01 remap v
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dump 1 all custom 500 dump.nemd tag type x y z
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thermo 1000
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run 50000
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Memory usage per processor = 1.55792 Mbytes
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Step Temp E_pair E_mol TotEng Press Volume
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0 1.44 0 0 1.4265 0.52159515 291.72051
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1000 1.0781851 0.3767373 0 1.4448145 3.341071 291.72051
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2000 1.1353421 0.31826705 0 1.4429653 3.0572956 291.72051
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||||
3000 1.030567 0.33822461 0 1.35913 3.0754292 291.72051
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||||
4000 1.084434 0.22978281 0 1.3040503 2.9985039 291.72051
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||||
5000 1.0301138 0.29805878 0 1.3185153 2.9303247 291.72051
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||||
6000 1.0077497 0.25076216 0 1.2490642 2.6414909 291.72051
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||||
7000 0.94139392 0.25553029 0 1.1880986 2.5455354 291.72051
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||||
8000 0.99185449 0.20276353 0 1.1853194 2.3004842 291.72051
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||||
9000 0.98667899 0.19320088 0 1.1706297 2.3286929 291.72051
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||||
10000 0.8694539 0.30351063 0 1.1648134 2.8869823 291.72051
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||||
11000 0.91957626 0.26311283 0 1.1740681 2.482322 291.72051
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||||
12000 0.96816147 0.24842003 0 1.207505 2.5968204 291.72051
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||||
13000 0.99305932 0.27827402 0 1.2620234 2.6008086 291.72051
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||||
14000 0.96964013 0.32524077 0 1.2857905 2.7589889 291.72051
|
||||
15000 1.0406234 0.27494524 0 1.3058128 2.9745583 291.72051
|
||||
16000 1.0563876 0.30415531 0 1.3506393 2.9591999 291.72051
|
||||
17000 1.1546609 0.26606543 0 1.4099014 2.6835151 291.72051
|
||||
18000 1.1446667 0.23591973 0 1.3698552 2.5639461 291.72051
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||||
19000 1.0933319 0.32022608 0 1.403308 2.9400962 291.72051
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||||
20000 1.0496919 0.27302946 0 1.3128805 2.8111569 291.72051
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||||
21000 1.0045344 0.30920696 0 1.3043239 2.9781411 291.72051
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||||
22000 1.1738476 0.17013633 0 1.3329791 2.1044152 291.72051
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||||
23000 1.0772052 0.30975242 0 1.3768589 3.0931004 291.72051
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||||
24000 1.0736648 0.25699966 0 1.3205988 2.7170813 291.72051
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||||
25000 0.97012122 0.32820484 0 1.2892312 2.7960758 291.72051
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||||
26000 1.0135594 0.22519064 0 1.2292479 2.2619809 291.72051
|
||||
27000 0.86643886 0.26495984 0 1.1232758 2.6357446 291.72051
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||||
28000 0.87485679 0.21153951 0 1.0781945 2.3944736 291.72051
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||||
29000 0.8794958 0.20903385 0 1.0802844 2.4996412 291.72051
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||||
30000 0.95021338 0.1785099 0 1.119815 2.1001022 291.72051
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||||
31000 0.89467667 0.30930983 0 1.1955989 2.7732651 291.72051
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||||
32000 0.9996451 0.27049753 0 1.260771 2.5230927 291.72051
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||||
33000 1.1456535 0.19262378 0 1.3275368 2.5191339 291.72051
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||||
34000 1.1172695 0.30009096 0 1.4068861 2.9083508 291.72051
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||||
35000 1.1782712 0.33658625 0 1.5038112 3.2710349 291.72051
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||||
36000 1.2175616 0.33888092 0 1.5450279 2.9095564 291.72051
|
||||
37000 1.1251235 0.46373017 0 1.5783056 3.5548553 291.72051
|
||||
38000 1.258536 0.33742417 0 1.5841613 2.9829523 291.72051
|
||||
39000 1.1674319 0.35037031 0 1.5068575 3.4103837 291.72051
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||||
40000 1.1300951 0.30391857 0 1.4234191 2.9007945 291.72051
|
||||
41000 1.0079916 0.33954008 0 1.3380817 2.7537688 291.72051
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||||
42000 0.98741084 0.28566374 0 1.2638176 2.7612619 291.72051
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||||
43000 0.97625215 0.22170786 0 1.1888077 2.4375962 291.72051
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||||
44000 0.93659924 0.23779606 0 1.1656147 2.4336161 291.72051
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||||
45000 0.95304289 0.25561996 0 1.1997281 2.6384297 291.72051
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||||
46000 1.0028816 0.2345278 0 1.2280074 2.0876811 291.72051
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||||
47000 0.93735189 0.28467325 0 1.2132375 2.7980605 291.72051
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||||
48000 0.94622747 0.24014997 0 1.1775066 2.307812 291.72051
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||||
49000 0.89706269 0.31167999 0 1.2003327 3.0336271 291.72051
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50000 0.91583019 0.29328288 0 1.2005272 2.6667222 291.72051
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Loop time of 9.10519 on 4 procs for 50000 steps with 160 atoms
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Pair time (%) = 0.15942 (1.75087)
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Neigh time (%) = 0.107759 (1.18349)
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Comm time (%) = 5.86661 (64.4315)
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Outpt time (%) = 0.052742 (0.579252)
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Other time (%) = 2.91866 (32.0549)
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Nlocal: 40 ave 43 max 37 min
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Histogram: 1 1 0 0 0 0 0 0 1 1
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Nghost: 36.75 ave 39 max 32 min
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Histogram: 1 0 0 0 0 0 0 0 2 1
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Neighs: 86.75 ave 97 max 75 min
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Histogram: 1 1 0 0 0 0 0 0 0 2
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Total # of neighbors = 347
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Ave neighs/atom = 2.16875
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Neighbor list builds = 5065
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Dangerous builds = 0
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@ -1,109 +0,0 @@
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LAMMPS (22 June 2007)
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# 2d NEMD simulation
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||||
|
||||
units lj
|
||||
atom_style atomic
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||||
dimension 2d
|
||||
|
||||
lattice sq2 0.8442
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||||
Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
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||||
region box prism 0 10 0 8 -0.5 0.5 0 0 0
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create_box 2 box
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||||
Created triclinic box = (0 0 -0.769595) to (15.3919 12.3135 0.769595) with tilt (0 0 0)
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1 by 1 by 1 processor grid
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||||
create_atoms 1 box
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Created 160 atoms
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||||
mass * 1.0
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||||
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velocity all create 1.44 87287 loop geom
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region slice block 4 6 INF INF INF INF
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||||
set region slice type 2
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||||
40 settings made for type
|
||||
|
||||
pair_style lj/cut 2.5
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||||
pair_coeff * * 1.0 1.0 1.0
|
||||
|
||||
neighbor 0.3 bin
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||||
neigh_modify delay 0 every 1
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||||
|
||||
fix 1 all nvt/sllod 1.0 1.0 1.0
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||||
fix 2 all deform 1 xy erate 0.01 remap v
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||||
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||||
dump 1 all custom 500 dump.nemd tag type x y z
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||||
thermo 1000
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run 50000
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Memory usage per processor = 1.5625 Mbytes
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||||
Step Temp E_pair E_mol TotEng Press Volume
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||||
0 1.44 0 0 1.4265 0.52159515 291.72051
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||||
1000 1.1192431 0.32152228 0 1.4302725 3.0849273 291.72051
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||||
2000 1.0722145 0.32792208 0 1.3900846 2.7359267 291.72051
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||||
3000 1.0803269 0.21497546 0 1.2851743 2.2834162 291.72051
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||||
4000 1.083557 0.23095583 0 1.3043545 2.5848777 291.72051
|
||||
5000 1.0659096 0.23578138 0 1.2916981 2.7308093 291.72051
|
||||
6000 0.97914922 0.28414151 0 1.2541112 2.8350724 291.72051
|
||||
7000 0.94345331 0.24801991 0 1.1826283 2.2781061 291.72051
|
||||
8000 0.91284482 0.21572014 0 1.120007 2.3373662 291.72051
|
||||
9000 0.90773857 0.20179507 0 1.1010236 2.0423789 291.72051
|
||||
10000 0.88145472 0.18125755 0 1.0544486 2.3362039 291.72051
|
||||
11000 0.87571013 0.12262143 0 0.99012178 1.6880068 291.72051
|
||||
12000 0.80074028 0.22956229 0 1.0227956 2.6468191 291.72051
|
||||
13000 0.7825286 0.26841268 0 1.0436051 2.4945056 291.72051
|
||||
14000 0.79211256 0.25282461 0 1.0375111 2.5466413 291.72051
|
||||
15000 0.86932228 0.19819701 0 1.0593694 2.2687924 291.72051
|
||||
16000 0.95832898 0.20737909 0 1.1567237 2.4392205 291.72051
|
||||
17000 0.8874087 0.27245064 0 1.1515399 2.6651657 291.72051
|
||||
18000 0.92215327 0.22555391 0 1.139062 2.3727549 291.72051
|
||||
19000 0.93403801 0.28658997 0 1.2118714 2.6635906 291.72051
|
||||
20000 1.0282451 0.28503838 0 1.3036437 2.8944077 291.72051
|
||||
21000 1.1053745 0.30936149 0 1.4043731 3.050874 291.72051
|
||||
22000 1.1681036 0.33179109 0 1.4889437 2.963996 291.72051
|
||||
23000 1.0853893 0.39394314 0 1.4691569 3.1671499 291.72051
|
||||
24000 1.1704699 0.35809955 0 1.5175963 2.8419242 291.72051
|
||||
25000 1.1918317 0.37475072 0 1.5554089 3.0968822 291.72051
|
||||
26000 1.168098 0.34965423 0 1.5068013 3.1272861 291.72051
|
||||
27000 1.1354617 0.31857532 0 1.443392 3.0609084 291.72051
|
||||
28000 1.1876004 0.23206863 0 1.4085352 2.7389154 291.72051
|
||||
29000 1.079827 0.36142889 0 1.4311325 3.191018 291.72051
|
||||
30000 1.0753913 0.33649265 0 1.4018022 3.0008887 291.72051
|
||||
31000 1.0696975 0.24250732 0 1.3021764 2.5570239 291.72051
|
||||
32000 0.98836403 0.27036659 0 1.2494647 2.6083143 291.72051
|
||||
33000 0.88065423 0.36359233 0 1.2359904 3.1970968 291.72051
|
||||
34000 0.98597162 0.25219858 0 1.2289267 2.498528 291.72051
|
||||
35000 1.0112914 0.22672846 0 1.228539 2.493751 291.72051
|
||||
36000 0.93127567 0.28243389 0 1.2049789 2.7373743 291.72051
|
||||
37000 0.82187438 0.35141767 0 1.165587 3.1778458 291.72051
|
||||
38000 0.9521639 0.25784465 0 1.201082 2.5899557 291.72051
|
||||
39000 0.95037029 0.29516101 0 1.2366216 2.4676855 291.72051
|
||||
40000 0.95260903 0.27577233 0 1.2194507 2.6339219 291.72051
|
||||
41000 1.0486929 0.22025027 0 1.2591117 2.542758 291.72051
|
||||
42000 1.0345116 0.25222001 0 1.2770331 2.4358793 291.72051
|
||||
43000 0.98585285 0.26611246 0 1.2427229 2.5447851 291.72051
|
||||
44000 0.97750213 0.28088531 0 1.2492234 2.7728279 291.72051
|
||||
45000 0.89570157 0.3129666 0 1.200271 2.4704519 291.72051
|
||||
46000 0.98786766 0.20874738 0 1.1873538 2.2601725 291.72051
|
||||
47000 0.88635928 0.31043687 0 1.1884865 2.7900499 291.72051
|
||||
48000 0.9178394 0.24146658 0 1.1507012 2.6352068 291.72051
|
||||
49000 0.96622547 0.17283616 0 1.1300033 1.9782123 291.72051
|
||||
50000 0.90751608 0.19739424 0 1.0964024 2.2519054 291.72051
|
||||
Loop time of 5.69224 on 1 procs for 50000 steps with 160 atoms
|
||||
|
||||
Pair time (%) = 1.09039 (19.1556)
|
||||
Neigh time (%) = 0.683712 (12.0113)
|
||||
Comm time (%) = 0.57192 (10.0474)
|
||||
Outpt time (%) = 0.09878 (1.73535)
|
||||
Other time (%) = 3.24744 (57.0503)
|
||||
|
||||
Nlocal: 160 ave 160 max 160 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 71 ave 71 max 71 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 348 ave 348 max 348 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 348
|
||||
Ave neighs/atom = 2.175
|
||||
Neighbor list builds = 5070
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||||
Dangerous builds = 0
|
||||
109
examples/nemd/log.nemd.5Oct07.linux.1
Normal file
109
examples/nemd/log.nemd.5Oct07.linux.1
Normal file
@ -0,0 +1,109 @@
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||||
LAMMPS (5 Oct 2007)
|
||||
# 2d NEMD simulation
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
dimension 2d
|
||||
|
||||
lattice sq2 0.8442
|
||||
Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
|
||||
region box prism 0 10 0 8 -0.5 0.5 0 0 0
|
||||
create_box 2 box
|
||||
Created triclinic box = (0 0 -0.769595) to (15.3919 12.3135 0.769595) with tilt (0 0 0)
|
||||
1 by 1 by 1 processor grid
|
||||
create_atoms 1 box
|
||||
Created 160 atoms
|
||||
mass * 1.0
|
||||
|
||||
velocity all create 1.44 87287 loop geom
|
||||
|
||||
region slice block 4 6 INF INF INF INF
|
||||
set region slice type 2
|
||||
40 settings made for type
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
pair_coeff * * 1.0 1.0 1.0
|
||||
|
||||
neighbor 0.3 bin
|
||||
neigh_modify delay 0 every 1
|
||||
|
||||
fix 1 all nvt/sllod 1.0 1.0 1.0
|
||||
fix 2 all deform 1 xy erate 0.01 remap v
|
||||
|
||||
dump 1 all custom 500 dump.nemd tag type x y z
|
||||
|
||||
thermo 1000
|
||||
|
||||
run 50000
|
||||
Memory usage per processor = 1.45081 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press Volume
|
||||
0 1.44 0 0 1.4265 1.2042513 189.52855
|
||||
1000 1.0734748 0.36890025 0 1.4323113 7.1929969 189.52855
|
||||
2000 1.1517547 0.2841271 0 1.4250841 6.1221984 189.52855
|
||||
3000 1.1027076 0.36573651 0 1.4581062 7.3538676 189.52855
|
||||
4000 0.99662715 0.38600986 0 1.3732936 7.9318964 189.52855
|
||||
5000 1.0820284 0.25040753 0 1.3222919 5.9661681 189.52855
|
||||
6000 1.0438331 0.2638752 0 1.2979223 5.9543708 189.52855
|
||||
7000 0.93345245 0.33137652 0 1.2560779 6.5564009 189.52855
|
||||
8000 0.94514641 0.29383197 0 1.2301176 6.1348178 189.52855
|
||||
9000 0.89635924 0.2710404 0 1.1589963 6.340928 189.52855
|
||||
10000 0.94051815 0.17149636 0 1.1031972 4.9945728 189.52855
|
||||
11000 0.7773645 0.33755334 0 1.10763 6.5499908 189.52855
|
||||
12000 0.91810971 0.25586943 0 1.1653719 5.4075132 189.52855
|
||||
13000 0.94904769 0.25354221 0 1.1936926 5.9357198 189.52855
|
||||
14000 0.94993685 0.25560047 0 1.1966317 5.9612864 189.52855
|
||||
15000 0.91901604 0.31592429 0 1.2263246 6.9775288 189.52855
|
||||
16000 1.0381195 0.22425728 0 1.2526444 6.0744915 189.52855
|
||||
17000 0.93906147 0.27194669 0 1.2022045 6.318867 189.52855
|
||||
18000 0.94018078 0.28323222 0 1.2145988 5.927462 189.52855
|
||||
19000 0.88183255 0.31125386 0 1.1848192 7.2487788 189.52855
|
||||
20000 0.9485362 0.26172465 0 1.2013683 5.8688085 189.52855
|
||||
21000 0.96681389 0.27662806 0 1.2343781 6.1034702 189.52855
|
||||
22000 0.96136518 0.30992604 0 1.2622784 6.6461058 189.52855
|
||||
23000 1.0194119 0.22582738 0 1.2356823 5.6226384 189.52855
|
||||
24000 0.9301798 0.29645913 0 1.2179185 6.4745822 189.52855
|
||||
25000 0.91240957 0.29234452 0 1.1962002 6.6887472 189.52855
|
||||
26000 0.91313901 0.28712657 0 1.1917049 6.0178929 189.52855
|
||||
27000 0.93303588 0.2142725 0 1.1385612 6.4372853 189.52855
|
||||
28000 0.91674834 0.25087417 0 1.159028 6.2224947 189.52855
|
||||
29000 0.99600841 0.19468153 0 1.1813524 4.5602932 189.52855
|
||||
30000 0.93130089 0.28330859 0 1.2058785 6.1343324 189.52855
|
||||
31000 1.0372357 0.22020611 0 1.2477177 5.5958398 189.52855
|
||||
32000 1.0146142 0.29289456 0 1.2979967 6.3788932 189.52855
|
||||
33000 1.0147042 0.3298541 0 1.3350454 6.8885941 189.52855
|
||||
34000 1.05972 0.28566472 0 1.3354498 6.5689984 189.52855
|
||||
35000 1.0896746 0.25600363 0 1.3354625 6.1428563 189.52855
|
||||
36000 1.019992 0.28821631 0 1.2986459 6.4291887 189.52855
|
||||
37000 1.0739839 0.2166287 0 1.280544 5.9256523 189.52855
|
||||
38000 0.99747741 0.29854211 0 1.2866682 6.6135094 189.52855
|
||||
39000 1.0163272 0.26491483 0 1.2717139 6.7824067 189.52855
|
||||
40000 1.010392 0.24841181 0 1.2493313 5.8201293 189.52855
|
||||
41000 0.92175188 0.26032509 0 1.1734355 6.2938139 189.52855
|
||||
42000 0.93434616 0.25814037 0 1.183727 6.0959862 189.52855
|
||||
43000 1.0053835 0.17166675 0 1.1676247 4.8554587 189.52855
|
||||
44000 0.96493197 0.21850328 0 1.174389 5.2097232 189.52855
|
||||
45000 0.93317828 0.26048885 0 1.1849186 5.4539354 189.52855
|
||||
46000 0.85467725 0.29654064 0 1.1432053 6.3533831 189.52855
|
||||
47000 0.91453741 0.19315832 0 1.0991219 5.0506619 189.52855
|
||||
48000 0.89038089 0.22137426 0 1.1034078 4.8202629 189.52855
|
||||
49000 0.88269203 0.22050003 0 1.0949168 5.6621015 189.52855
|
||||
50000 0.87491224 0.18892883 0 1.0556388 5.1156525 189.52855
|
||||
Loop time of 1.44806 on 1 procs for 50000 steps with 160 atoms
|
||||
|
||||
Pair time (%) = 0.323644 (22.3501)
|
||||
Neigh time (%) = 0.188659 (13.0284)
|
||||
Comm time (%) = 0.0994132 (6.86525)
|
||||
Outpt time (%) = 0.0299413 (2.06768)
|
||||
Other time (%) = 0.806405 (55.6885)
|
||||
|
||||
Nlocal: 160 ave 160 max 160 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 66 ave 66 max 66 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 357 ave 357 max 357 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 357
|
||||
Ave neighs/atom = 2.23125
|
||||
Neighbor list builds = 5061
|
||||
Dangerous builds = 0
|
||||
109
examples/nemd/log.nemd.5Oct07.linux.4
Normal file
109
examples/nemd/log.nemd.5Oct07.linux.4
Normal file
@ -0,0 +1,109 @@
|
||||
LAMMPS (5 Oct 2007)
|
||||
# 2d NEMD simulation
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
dimension 2d
|
||||
|
||||
lattice sq2 0.8442
|
||||
Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
|
||||
region box prism 0 10 0 8 -0.5 0.5 0 0 0
|
||||
create_box 2 box
|
||||
Created triclinic box = (0 0 -0.769595) to (15.3919 12.3135 0.769595) with tilt (0 0 0)
|
||||
2 by 2 by 1 processor grid
|
||||
create_atoms 1 box
|
||||
Created 160 atoms
|
||||
mass * 1.0
|
||||
|
||||
velocity all create 1.44 87287 loop geom
|
||||
|
||||
region slice block 4 6 INF INF INF INF
|
||||
set region slice type 2
|
||||
40 settings made for type
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
pair_coeff * * 1.0 1.0 1.0
|
||||
|
||||
neighbor 0.3 bin
|
||||
neigh_modify delay 0 every 1
|
||||
|
||||
fix 1 all nvt/sllod 1.0 1.0 1.0
|
||||
fix 2 all deform 1 xy erate 0.01 remap v
|
||||
|
||||
dump 1 all custom 500 dump.nemd tag type x y z
|
||||
|
||||
thermo 1000
|
||||
|
||||
run 50000
|
||||
Memory usage per processor = 1.44461 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press Volume
|
||||
0 1.44 0 0 1.4265 1.2042513 189.52855
|
||||
1000 1.1901402 0.24460463 0 1.4235873 5.6959913 189.52855
|
||||
2000 1.0676558 0.29863908 0 1.3562857 6.5349959 189.52855
|
||||
3000 1.0349254 0.23954534 0 1.2647683 5.3298059 189.52855
|
||||
4000 0.95484774 0.33528353 0 1.2811796 6.3000435 189.52855
|
||||
5000 1.0477226 0.30558513 0 1.3434853 5.9814336 189.52855
|
||||
6000 0.98794357 0.37185204 0 1.3505336 7.8681479 189.52855
|
||||
7000 0.92743096 0.33170602 0 1.2504423 6.7726369 189.52855
|
||||
8000 0.93326404 0.2545528 0 1.1790675 6.3131757 189.52855
|
||||
9000 0.90049777 0.29560758 0 1.1876632 6.0546506 189.52855
|
||||
10000 0.97436742 0.2298106 0 1.1950433 5.5447453 189.52855
|
||||
11000 0.86975175 0.27513258 0 1.1367304 6.1339055 189.52855
|
||||
12000 0.92970947 0.23320266 0 1.1541961 5.8532618 189.52855
|
||||
13000 0.86873551 0.23226394 0 1.0928551 6.2474467 189.52855
|
||||
14000 0.98280237 0.14309968 0 1.1166883 5.2118634 189.52855
|
||||
15000 0.94088149 0.22212741 0 1.1541881 4.6863471 189.52855
|
||||
16000 1.0089028 0.24336401 0 1.2428083 5.3409142 189.52855
|
||||
17000 0.95396192 0.2902509 0 1.2352694 6.3963061 189.52855
|
||||
18000 1.0497953 0.22627318 0 1.2662267 5.8330043 189.52855
|
||||
19000 0.90880181 0.38027855 0 1.2805603 7.1368588 189.52855
|
||||
20000 1.0449149 0.25905955 0 1.2941784 6.3284872 189.52855
|
||||
21000 1.0188599 0.25077902 0 1.2600872 5.8992217 189.52855
|
||||
22000 0.99437005 0.2960979 0 1.2811457 6.9917101 189.52855
|
||||
23000 0.95953352 0.32661477 0 1.2771527 6.8229379 189.52855
|
||||
24000 0.91308242 0.24598564 0 1.1505079 5.5900057 189.52855
|
||||
25000 0.81456053 0.32563745 0 1.1325615 5.9306789 189.52855
|
||||
26000 0.89143191 0.24958346 0 1.1326582 5.6766597 189.52855
|
||||
27000 0.99291791 0.19716705 0 1.1807764 5.8576091 189.52855
|
||||
28000 1.0145018 0.18935544 0 1.1943462 4.9603088 189.52855
|
||||
29000 0.93143557 0.28654591 0 1.2092493 6.6727916 189.52855
|
||||
30000 0.94255313 0.31317011 0 1.2468868 6.9692267 189.52855
|
||||
31000 0.95124748 0.29658452 0 1.2389141 6.8818591 189.52855
|
||||
32000 0.99513993 0.27394492 0 1.2597554 6.1858608 189.52855
|
||||
33000 0.92490824 0.27519526 0 1.1914325 6.4376302 189.52855
|
||||
34000 0.97539532 0.24786953 0 1.2141205 5.6681038 189.52855
|
||||
35000 0.98072928 0.22765466 0 1.1991896 5.8671454 189.52855
|
||||
36000 0.96792384 0.24720493 0 1.2060545 5.4404731 189.52855
|
||||
37000 1.01283 0.24621335 0 1.2495481 6.0808206 189.52855
|
||||
38000 0.94433304 0.26350532 0 1.1989852 5.6114578 189.52855
|
||||
39000 0.98396911 0.17767048 0 1.1524149 5.4573713 189.52855
|
||||
40000 0.96337969 0.17789197 0 1.13224 5.1184409 189.52855
|
||||
41000 0.89895527 0.20881808 0 1.0993456 4.9409758 189.52855
|
||||
42000 0.95220688 0.18270061 0 1.1259806 5.6483563 189.52855
|
||||
43000 0.86000073 0.25459443 0 1.1065327 6.2752265 189.52855
|
||||
44000 0.92143411 0.17461126 0 1.0874069 4.925504 189.52855
|
||||
45000 0.86646255 0.234748 0 1.0930875 5.4311296 189.52855
|
||||
46000 0.9860644 0.22534051 0 1.2021606 6.622256 189.52855
|
||||
47000 0.98774622 0.27618391 0 1.25467 5.9925752 189.52855
|
||||
48000 1.0140549 0.24275603 0 1.2473041 5.5398621 189.52855
|
||||
49000 1.0533143 0.23476006 0 1.2781995 5.7837367 189.52855
|
||||
50000 1.0475756 0.30719677 0 1.3449513 7.1533727 189.52855
|
||||
Loop time of 21.6124 on 4 procs for 50000 steps with 160 atoms
|
||||
|
||||
Pair time (%) = 0.119393 (0.552429)
|
||||
Neigh time (%) = 0.0645961 (0.298885)
|
||||
Comm time (%) = 14.4842 (67.018)
|
||||
Outpt time (%) = 0.0730151 (0.337839)
|
||||
Other time (%) = 6.87119 (31.7928)
|
||||
|
||||
Nlocal: 40 ave 42 max 39 min
|
||||
Histogram: 2 0 0 1 0 0 0 0 0 1
|
||||
Nghost: 38 ave 40 max 35 min
|
||||
Histogram: 1 0 0 0 0 0 1 0 1 1
|
||||
Neighs: 86 ave 94 max 74 min
|
||||
Histogram: 1 0 0 0 0 1 0 0 1 1
|
||||
|
||||
Total # of neighbors = 344
|
||||
Ave neighs/atom = 2.15
|
||||
Neighbor list builds = 5072
|
||||
Dangerous builds = 0
|
||||
Reference in New Issue
Block a user