git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1395 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
109
examples/nemd/log.nemd.22Jan08.linux.1
Normal file
109
examples/nemd/log.nemd.22Jan08.linux.1
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@ -0,0 +1,109 @@
|
||||
LAMMPS (22 Jan 2008)
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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
|
||||
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
|
||||
create_atoms 1 box
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||||
Created 160 atoms
|
||||
mass * 1.0
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||||
|
||||
velocity all create 1.44 87287 loop geom
|
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|
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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
|
||||
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||||
thermo 1000
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||||
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run 50000
|
||||
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 1.4265 1.2042513 189.52855
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||||
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
|
||||
109
examples/nemd/log.nemd.22Jan08.linux.4
Normal file
109
examples/nemd/log.nemd.22Jan08.linux.4
Normal file
@ -0,0 +1,109 @@
|
||||
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
|
||||
@ -1,109 +0,0 @@
|
||||
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
|
||||
@ -1,109 +0,0 @@
|
||||
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