git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1839 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
109
examples/nemd/log.nemd.21May08.linux.1
Normal file
109
examples/nemd/log.nemd.21May08.linux.1
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@ -0,0 +1,109 @@
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LAMMPS (21 May 2008)
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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
|
||||
|
||||
lattice sq2 0.8442
|
||||
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
|
||||
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
|
||||
neigh_modify delay 0 every 1
|
||||
|
||||
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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||||
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thermo 1000
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run 50000
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Memory usage per processor = 1.79413 Mbytes
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Step Temp E_pair E_mol TotEng Press Volume
|
||||
0 1.44 0 0 1.431 1.2080502 189.52855
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||||
1000 1.201216 0.22081306 0 1.4145215 5.812072 189.52855
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||||
2000 1.1053634 0.34245325 0 1.4409081 7.2538039 189.52855
|
||||
3000 1.0369584 0.33062855 0 1.361106 6.660302 189.52855
|
||||
4000 1.0763793 0.2937252 0 1.3633772 6.8420884 189.52855
|
||||
5000 0.99089378 0.28590111 0 1.2706018 6.429982 189.52855
|
||||
6000 1.0307968 0.23016743 0 1.2545218 5.5964388 189.52855
|
||||
7000 0.88642282 0.28517029 0 1.166053 6.0559882 189.52855
|
||||
8000 0.95680641 0.19899612 0 1.1498225 4.9970284 189.52855
|
||||
9000 0.82948739 0.23322237 0 1.0575255 6.1567415 189.52855
|
||||
10000 0.8669664 0.21075772 0 1.0723056 5.530127 189.52855
|
||||
11000 0.82083041 0.23243452 0 1.0481347 5.755917 189.52855
|
||||
12000 0.87146711 0.19031553 0 1.056336 4.9189315 189.52855
|
||||
13000 0.87563025 0.23281315 0 1.1029707 5.3535722 189.52855
|
||||
14000 0.93356309 0.21105622 0 1.1387845 5.522022 189.52855
|
||||
15000 0.90866689 0.25933437 0 1.1623221 6.0137405 189.52855
|
||||
16000 1.0336736 0.24068668 0 1.2678999 6.0482803 189.52855
|
||||
17000 1.0277848 0.25504818 0 1.2764093 6.2722003 189.52855
|
||||
18000 1.0364869 0.26178553 0 1.2917944 5.7429124 189.52855
|
||||
19000 0.94527034 0.38926601 0 1.3286284 6.5023984 189.52855
|
||||
20000 1.0274028 0.31347493 0 1.3344564 7.0482764 189.52855
|
||||
21000 1.1191047 0.25917341 0 1.3712837 5.6562822 189.52855
|
||||
22000 1.0422655 0.34401979 0 1.3797711 6.3526729 189.52855
|
||||
23000 1.0321083 0.29206781 0 1.3177254 6.2154608 189.52855
|
||||
24000 1.0244771 0.32519735 0 1.3432715 6.6907816 189.52855
|
||||
25000 1.0657586 0.33274044 0 1.3918381 6.8894346 189.52855
|
||||
26000 1.1356479 0.23644778 0 1.3649979 5.4008811 189.52855
|
||||
27000 1.0630847 0.28714545 0 1.3435858 6.648475 189.52855
|
||||
28000 1.0803365 0.27113962 0 1.344724 6.7677826 189.52855
|
||||
29000 1.1410108 0.20529094 0 1.3391704 5.982283 189.52855
|
||||
30000 1.1917679 0.23409944 0 1.4184188 5.6963971 189.52855
|
||||
31000 1.0831878 0.36265238 0 1.4390702 7.2461956 189.52855
|
||||
32000 1.1345617 0.287766 0 1.4152367 6.4520365 189.52855
|
||||
33000 0.99110806 0.36761581 0 1.3525294 7.1366759 189.52855
|
||||
34000 1.078312 0.27340897 0 1.3449816 6.3911521 189.52855
|
||||
35000 0.99660085 0.36948608 0 1.3598582 7.5812397 189.52855
|
||||
36000 1.0144204 0.34392112 0 1.3520014 7.5639539 189.52855
|
||||
37000 0.98694344 0.28582689 0 1.2666019 6.6959949 189.52855
|
||||
38000 1.0024714 0.27282321 0 1.2690291 6.6264321 189.52855
|
||||
39000 0.97207374 0.25235501 0 1.2183533 6.4007459 189.52855
|
||||
40000 0.92812395 0.269067 0 1.1913902 6.3556929 189.52855
|
||||
41000 0.97149408 0.279107 0 1.2445292 6.0646852 189.52855
|
||||
42000 1.0134876 0.25321709 0 1.2603704 5.6813022 189.52855
|
||||
43000 0.92625362 0.25866794 0 1.1791325 5.5152806 189.52855
|
||||
44000 0.97786941 0.20193469 0 1.1736924 5.2346171 189.52855
|
||||
45000 0.92077813 0.20916856 0 1.1241918 5.3582525 189.52855
|
||||
46000 0.98568366 0.21767436 0 1.1971975 5.0698867 189.52855
|
||||
47000 0.98658256 0.24457963 0 1.224996 5.5310436 189.52855
|
||||
48000 1.0444714 0.24354858 0 1.281492 5.167352 189.52855
|
||||
49000 1.0009963 0.28263617 0 1.2773762 6.3125521 189.52855
|
||||
50000 1.0897606 0.2494605 0 1.3324101 6.4210283 189.52855
|
||||
Loop time of 1.6234 on 1 procs for 50000 steps with 160 atoms
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||||
|
||||
Pair time (%) = 0.317492 (19.5573)
|
||||
Neigh time (%) = 0.18852 (11.6127)
|
||||
Comm time (%) = 0.0984259 (6.06296)
|
||||
Outpt time (%) = 0.0293596 (1.80853)
|
||||
Other time (%) = 0.989599 (60.9585)
|
||||
|
||||
Nlocal: 160 ave 160 max 160 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 61 ave 61 max 61 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 361 ave 361 max 361 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 361
|
||||
Ave neighs/atom = 2.25625
|
||||
Neighbor list builds = 5054
|
||||
Dangerous builds = 0
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||||
109
examples/nemd/log.nemd.21May08.linux.4
Normal file
109
examples/nemd/log.nemd.21May08.linux.4
Normal file
@ -0,0 +1,109 @@
|
||||
LAMMPS (21 May 2008)
|
||||
# 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 = 1.78793 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press Volume
|
||||
0 1.44 0 0 1.431 1.2080502 189.52855
|
||||
1000 1.1697926 0.21325256 0 1.3757339 5.2080616 189.52855
|
||||
2000 1.0171912 0.29202538 0 1.3028591 6.2516963 189.52855
|
||||
3000 0.99202333 0.30099879 0 1.286822 7.1377169 189.52855
|
||||
4000 0.99232557 0.27498873 0 1.2611123 6.0634528 189.52855
|
||||
5000 0.97745735 0.29346168 0 1.2648099 6.6231602 189.52855
|
||||
6000 0.96324554 0.2806326 0 1.2378579 6.0791693 189.52855
|
||||
7000 0.99859204 0.21058692 0 1.2029378 5.312413 189.52855
|
||||
8000 1.0109566 0.19053005 0 1.1951682 5.114073 189.52855
|
||||
9000 0.95156948 0.32960966 0 1.2752318 6.5200852 189.52855
|
||||
10000 1.0191357 0.31557253 0 1.3283386 7.1244854 189.52855
|
||||
11000 1.1018622 0.26166595 0 1.3566415 6.0071258 189.52855
|
||||
12000 0.95953724 0.32378335 0 1.2773235 6.5580551 189.52855
|
||||
13000 0.99604838 0.28112532 0 1.2709484 5.8429234 189.52855
|
||||
14000 0.98563574 0.26169744 0 1.241173 6.4164311 189.52855
|
||||
15000 0.92737672 0.33493597 0 1.2565166 6.6062138 189.52855
|
||||
16000 0.95376077 0.33825777 0 1.2860575 7.4237304 189.52855
|
||||
17000 1.1011389 0.22545271 0 1.3197095 5.7483214 189.52855
|
||||
18000 0.99936019 0.34579596 0 1.3389102 6.5986774 189.52855
|
||||
19000 1.0385827 0.34139906 0 1.3734906 7.3725224 189.52855
|
||||
20000 1.0863768 0.25973407 0 1.3393211 5.719117 189.52855
|
||||
21000 1.0292233 0.27151556 0 1.2943062 6.2598972 189.52855
|
||||
22000 0.99429804 0.27141639 0 1.2595001 6.5580982 189.52855
|
||||
23000 0.94958875 0.21465821 0 1.158312 5.8037305 189.52855
|
||||
24000 0.88642624 0.20417299 0 1.0850591 5.4317389 189.52855
|
||||
25000 0.91450961 0.1677748 0 1.0765687 4.817349 189.52855
|
||||
26000 0.91751663 0.21347568 0 1.1252578 5.2020404 189.52855
|
||||
27000 0.92235414 0.2743999 0 1.1909893 5.9318744 189.52855
|
||||
28000 1.0147496 0.21738239 0 1.2257898 5.4243143 189.52855
|
||||
29000 1.0423796 0.2177307 0 1.2535955 5.9015198 189.52855
|
||||
30000 1.0918894 0.27418042 0 1.3592455 6.1376946 189.52855
|
||||
31000 1.0808038 0.34889063 0 1.4229394 6.7579123 189.52855
|
||||
32000 1.0621686 0.3810462 0 1.4365762 7.6754676 189.52855
|
||||
33000 1.2846684 0.24383496 0 1.5204741 6.0921751 189.52855
|
||||
34000 1.1516823 0.36346499 0 1.5079493 7.3192421 189.52855
|
||||
35000 1.1268604 0.35725077 0 1.4770683 7.0260174 189.52855
|
||||
36000 1.1843072 0.23214387 0 1.4090491 5.4136742 189.52855
|
||||
37000 1.0516345 0.32002698 0 1.3650888 6.7995753 189.52855
|
||||
38000 1.0383111 0.25289855 0 1.2847202 6.0240848 189.52855
|
||||
39000 0.98462749 0.28564014 0 1.2641137 6.3777186 189.52855
|
||||
40000 0.87538476 0.36557837 0 1.235492 6.8848323 189.52855
|
||||
41000 0.98587871 0.26116271 0 1.2408797 6.4161684 189.52855
|
||||
42000 0.97791927 0.27694735 0 1.2487546 6.3307714 189.52855
|
||||
43000 0.99292488 0.23856305 0 1.2252821 5.6251966 189.52855
|
||||
44000 0.84382228 0.3336851 0 1.1722335 6.706324 189.52855
|
||||
45000 0.97000203 0.24195557 0 1.2058951 5.9593224 189.52855
|
||||
46000 0.93260381 0.29811871 0 1.2248937 6.2647019 189.52855
|
||||
47000 0.98928475 0.24566783 0 1.2287695 5.6042505 189.52855
|
||||
48000 1.0089185 0.2711447 0 1.2737574 6.3042831 189.52855
|
||||
49000 1.0584424 0.28195041 0 1.3337776 6.5027698 189.52855
|
||||
50000 1.0404332 0.28577101 0 1.3197015 6.2419453 189.52855
|
||||
Loop time of 22.236 on 4 procs for 50000 steps with 160 atoms
|
||||
|
||||
Pair time (%) = 0.117888 (0.530169)
|
||||
Neigh time (%) = 0.0656884 (0.295415)
|
||||
Comm time (%) = 14.7994 (66.5562)
|
||||
Outpt time (%) = 0.0774301 (0.34822)
|
||||
Other time (%) = 7.17555 (32.27)
|
||||
|
||||
Nlocal: 40 ave 41 max 39 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||
Nghost: 38 ave 39 max 36 min
|
||||
Histogram: 1 0 0 0 0 0 1 0 0 2
|
||||
Neighs: 88.25 ave 92 max 84 min
|
||||
Histogram: 1 0 0 0 0 1 1 0 0 1
|
||||
|
||||
Total # of neighbors = 353
|
||||
Ave neighs/atom = 2.20625
|
||||
Neighbor list builds = 5077
|
||||
Dangerous builds = 0
|
||||
@ -1,109 +0,0 @@
|
||||
LAMMPS (22 Jan 2008)
|
||||
# 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 = 1.79413 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press Volume
|
||||
0 1.44 0 0 1.4265 1.2042513 189.52855
|
||||
1000 1.1957714 0.24426867 0 1.4288297 5.6293729 189.52855
|
||||
2000 1.0512544 0.36384346 0 1.4052424 7.4695343 189.52855
|
||||
3000 1.1469734 0.23896893 0 1.3751894 5.6807214 189.52855
|
||||
4000 1.0241419 0.33724993 0 1.3517905 7.6685283 189.52855
|
||||
5000 1.0450738 0.3070054 0 1.3422817 6.5793804 189.52855
|
||||
6000 1.0685486 0.28335604 0 1.341887 6.6844393 189.52855
|
||||
7000 1.0897239 0.27389674 0 1.3534045 6.6481088 189.52855
|
||||
8000 1.110529 0.22408733 0 1.3242051 5.6773903 189.52855
|
||||
9000 1.0678619 0.29632567 0 1.3541763 6.3949916 189.52855
|
||||
10000 1.1660924 0.22834951 0 1.3835098 5.5541843 189.52855
|
||||
11000 1.0722384 0.27294548 0 1.3351317 6.4708617 189.52855
|
||||
12000 1.0044103 0.32564577 0 1.3206397 7.2612801 189.52855
|
||||
13000 0.99372325 0.28302395 0 1.2674311 6.7664165 189.52855
|
||||
14000 0.92084625 0.35175684 0 1.2639702 6.8344289 189.52855
|
||||
15000 1.0230407 0.23460993 0 1.2480596 5.8082977 189.52855
|
||||
16000 1.0425501 0.2176758 0 1.250452 4.8674643 189.52855
|
||||
17000 0.97012929 0.27885836 0 1.2398927 6.9865482 189.52855
|
||||
18000 0.9831045 0.26127207 0 1.23516 6.3350937 189.52855
|
||||
19000 0.98620312 0.21991389 0 1.1968714 5.5543736 189.52855
|
||||
20000 1.01412 0.20446778 0 1.2090804 5.0827574 189.52855
|
||||
21000 1.0010437 0.21376483 0 1.2054238 6.1091116 189.52855
|
||||
22000 1.0127807 0.28721144 0 1.2904973 7.0634198 189.52855
|
||||
23000 1.0813249 0.25976823 0 1.3309557 6.0306099 189.52855
|
||||
24000 1.0802637 0.28544909 0 1.3555853 6.3827986 189.52855
|
||||
25000 1.1518499 0.23206633 0 1.3731176 5.8921729 189.52855
|
||||
26000 1.1108836 0.24930877 0 1.3497778 6.1708853 189.52855
|
||||
27000 1.0607825 0.2234288 0 1.2742664 5.7632024 189.52855
|
||||
28000 1.0391552 0.25691356 0 1.2863267 6.0416087 189.52855
|
||||
29000 0.99095631 0.25778565 0 1.2394517 5.4705218 189.52855
|
||||
30000 0.98637444 0.26105776 0 1.2381849 6.0167833 189.52855
|
||||
31000 0.95692196 0.26393713 0 1.2118879 5.8106414 189.52855
|
||||
32000 0.97151292 0.2510554 0 1.2134604 6.663016 189.52855
|
||||
33000 1.0158087 0.26768531 0 1.2739708 6.5506448 189.52855
|
||||
34000 0.95974388 0.31697173 0 1.267718 6.4849664 189.52855
|
||||
35000 1.0527141 0.25903984 0 1.3018848 5.8715406 189.52855
|
||||
36000 0.98256431 0.25872637 0 1.2320791 6.97778 189.52855
|
||||
37000 1.0711558 0.2118975 0 1.2730112 5.5570897 189.52855
|
||||
38000 1.0719782 0.21273864 0 1.274667 5.5745073 189.52855
|
||||
39000 1.081957 0.20776531 0 1.279579 6.1207526 189.52855
|
||||
40000 0.97959574 0.29250154 0 1.2629136 7.0039551 189.52855
|
||||
41000 0.98177341 0.24070052 0 1.2132698 6.2770289 189.52855
|
||||
42000 0.93713907 0.29565793 0 1.2240113 6.8009101 189.52855
|
||||
43000 0.85994766 0.33876002 0 1.1906457 6.3808484 189.52855
|
||||
44000 1.010351 0.24602983 0 1.2469088 6.0770182 189.52855
|
||||
45000 0.98461752 0.25682126 0 1.232208 6.5865262 189.52855
|
||||
46000 0.99366855 0.27489751 0 1.2592504 6.1331616 189.52855
|
||||
47000 0.9723363 0.33478499 0 1.2980056 7.2892199 189.52855
|
||||
48000 0.94450954 0.40945183 0 1.3451066 7.7632521 189.52855
|
||||
49000 1.0821859 0.27329139 0 1.3453318 6.5206906 189.52855
|
||||
50000 1.0229752 0.30045077 0 1.3138355 6.4390946 189.52855
|
||||
Loop time of 1.4216 on 1 procs for 50000 steps with 160 atoms
|
||||
|
||||
Pair time (%) = 0.320149 (22.5203)
|
||||
Neigh time (%) = 0.19033 (13.3884)
|
||||
Comm time (%) = 0.0955777 (6.72324)
|
||||
Outpt time (%) = 0.0293758 (2.06639)
|
||||
Other time (%) = 0.78617 (55.3017)
|
||||
|
||||
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: 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 = 5054
|
||||
Dangerous builds = 0
|
||||
@ -1,109 +0,0 @@
|
||||
LAMMPS (22 Jan 2008)
|
||||
# 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 = 1.78793 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press Volume
|
||||
0 1.44 0 0 1.4265 1.2042513 189.52855
|
||||
1000 1.1376326 0.2723749 0 1.3993422 6.0281618 189.52855
|
||||
2000 1.1092867 0.30697161 0 1.4058587 6.5032573 189.52855
|
||||
3000 1.1766842 0.22235709 0 1.3880098 5.8644335 189.52855
|
||||
4000 1.0434686 0.34041502 0 1.3741011 7.0700722 189.52855
|
||||
5000 1.1074638 0.22563765 0 1.322719 5.8819014 189.52855
|
||||
6000 1.100945 0.2181433 0 1.3087669 6.0202699 189.52855
|
||||
7000 0.97801661 0.33802096 0 1.3068687 7.5777517 189.52855
|
||||
8000 1.0689837 0.23524351 0 1.2942054 5.85439 189.52855
|
||||
9000 0.98697269 0.26366959 0 1.2413894 6.4300856 189.52855
|
||||
10000 1.0108076 0.21921678 0 1.2205481 6.3955919 189.52855
|
||||
11000 0.89800714 0.21444583 0 1.1040342 5.7539663 189.52855
|
||||
12000 0.95992701 0.17693662 0 1.1278643 5.3022292 189.52855
|
||||
13000 0.98389546 0.16326907 0 1.1379405 5.2203307 189.52855
|
||||
14000 0.90861181 0.21504543 0 1.115139 4.9988336 189.52855
|
||||
15000 0.85713034 0.19327642 0 1.0423712 5.3278582 189.52855
|
||||
16000 0.8825445 0.23009835 0 1.104369 5.5304884 189.52855
|
||||
17000 0.87611509 0.24874153 0 1.116643 6.43497 189.52855
|
||||
18000 0.95591731 0.21548224 0 1.1624378 5.8740926 189.52855
|
||||
19000 0.96623931 0.28660713 0 1.2437879 5.9965065 189.52855
|
||||
20000 1.0307188 0.27291119 0 1.293967 6.2130706 189.52855
|
||||
21000 1.058557 0.33094775 0 1.3795808 7.0034843 189.52855
|
||||
22000 1.1038028 0.31323484 0 1.4066895 6.5357948 189.52855
|
||||
23000 1.0332701 0.37233908 0 1.3959223 7.19646 189.52855
|
||||
24000 1.1373415 0.2868604 0 1.4135393 6.512421 189.52855
|
||||
25000 1.1251188 0.26998165 0 1.3845525 5.9383566 189.52855
|
||||
26000 1.1495445 0.26242517 0 1.4011927 6.2097913 189.52855
|
||||
27000 1.0710201 0.24813894 0 1.3091182 5.9469594 189.52855
|
||||
28000 0.94089325 0.37721847 0 1.3092909 7.5991128 189.52855
|
||||
29000 1.1245164 0.2012278 0 1.3152019 4.8980329 189.52855
|
||||
30000 0.99392576 0.34334349 0 1.3279512 6.4315527 189.52855
|
||||
31000 0.99011392 0.32648676 0 1.3073184 6.9984388 189.52855
|
||||
32000 0.94636734 0.36450354 0 1.3019987 7.2324663 189.52855
|
||||
33000 0.93907091 0.31264026 0 1.2429074 6.2071137 189.52855
|
||||
34000 0.92196227 0.27866154 0 1.1919804 6.662139 189.52855
|
||||
35000 0.9670411 0.25971717 0 1.2176923 5.8709837 189.52855
|
||||
36000 0.94905466 0.30285469 0 1.243012 6.9870879 189.52855
|
||||
37000 1.0027302 0.26550016 0 1.2588298 6.4022976 189.52855
|
||||
38000 0.95341975 0.32978864 0 1.2742701 6.3304338 189.52855
|
||||
39000 1.0930053 0.23648819 0 1.3192466 5.4154989 189.52855
|
||||
40000 1.0943964 0.23898933 0 1.3231257 5.9056706 189.52855
|
||||
41000 1.0267208 0.28983681 0 1.3069321 6.7084471 189.52855
|
||||
42000 0.94374097 0.28271929 0 1.2176127 6.1336872 189.52855
|
||||
43000 0.89703955 0.27637051 0 1.1650003 5.7892838 189.52855
|
||||
44000 0.9145058 0.24114071 0 1.147073 5.7678354 189.52855
|
||||
45000 0.98924374 0.24342035 0 1.2233899 5.8284458 189.52855
|
||||
46000 0.97250668 0.23874128 0 1.2021307 6.56895 189.52855
|
||||
47000 0.95124639 0.24487076 0 1.1871992 5.5045958 189.52855
|
||||
48000 0.88977783 0.24482112 0 1.1262573 5.5189103 189.52855
|
||||
49000 0.94390446 0.18400987 0 1.1190652 5.2014664 189.52855
|
||||
50000 0.8982525 0.24633124 0 1.1361626 6.2422864 189.52855
|
||||
Loop time of 24.1271 on 4 procs for 50000 steps with 160 atoms
|
||||
|
||||
Pair time (%) = 0.125436 (0.519896)
|
||||
Neigh time (%) = 0.0702366 (0.291111)
|
||||
Comm time (%) = 16.1323 (66.8637)
|
||||
Outpt time (%) = 0.0769518 (0.318944)
|
||||
Other time (%) = 7.72219 (32.0064)
|
||||
|
||||
Nlocal: 40 ave 41 max 39 min
|
||||
Histogram: 1 0 0 0 0 2 0 0 0 1
|
||||
Nghost: 36.5 ave 38 max 34 min
|
||||
Histogram: 1 0 0 0 0 0 0 2 0 1
|
||||
Neighs: 87.5 ave 92 max 82 min
|
||||
Histogram: 1 0 0 1 0 0 0 0 0 2
|
||||
|
||||
Total # of neighbors = 350
|
||||
Ave neighs/atom = 2.1875
|
||||
Neighbor list builds = 5057
|
||||
Dangerous builds = 0
|
||||
Reference in New Issue
Block a user