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lammps/examples/USER/dpd/dpde-shardlow/log.dpde-shardlow.reference
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LAMMPS (7 Dec 2015)
# Input File for DPD fluid under isoenergetic conditions using the VV-SSA integration scheme
boundary p p p
units metal # ev, ps
atom_style dpd
read_data data.dpde
orthogonal box = (-5.36874 -4.6558 -6.56118) to (61.4618 53.2342 46.2472)
1 by 1 by 1 MPI processor grid
reading atoms ...
1000 atoms
reading velocities ...
1000 velocities
comm_modify mode single vel yes
mass 1 100.0
pair_style dpd/fdt/energy 10.0 245455
pair_coeff 1 1 0.075 0.022 3.2E-5 10.00
neighbor 2.0 bin
neigh_modify every 1 delay 0 check no once no
timestep 0.001
compute dpdU all dpd
variable totEnergy equal pe+ke+c_dpdU[1]+c_dpdU[2]
thermo 1
thermo_style custom step temp pe ke v_totEnergy
thermo_modify format float %15.10f
fix 1 all shardlow
fix 2 all nve
fix 3 all eos/cv 0.0005
run 100
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check no
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 12
ghost atom cutoff = 12
binsize = 6 -> bins = 12 10 9
Memory usage per processor = 3.33107 Mbytes
Step Temp PotEng KinEng totEnerg
0 128.6667660382 263.2538386154 16.6148533499 429.8686919654
1 128.9849917287 263.2538898270 16.6559461149 429.8686919651
2 128.8333822604 263.2539770413 16.6363686501 429.8686919650
3 128.7339619634 263.2541060527 16.6235304192 429.8686919618
4 129.0775205811 263.2542863822 16.6678944475 429.8686919618
5 129.4306564211 263.2545145142 16.7134951910 429.8686919618
6 129.4114326993 263.2547749062 16.7110128148 429.8686919619
7 129.3005442814 263.2550718076 16.6966936953 429.8686919620
8 129.3692785510 263.2554082313 16.7055694123 429.8686919600
9 129.2906385442 263.2557915576 16.6954145587 429.8686919569
10 129.4374487159 263.2562107913 16.7143722861 429.8686919571
11 129.8074096259 263.2566619501 16.7621456657 429.8686919573
12 129.5775408090 263.2571482272 16.7324625020 429.8686919571
13 129.6608210294 263.2576775975 16.7432165506 429.8686919575
14 129.9636716679 263.2582382637 16.7823239215 429.8686919579
15 130.1728562587 263.2588485908 16.8093361128 429.8686919584
16 130.5554484013 263.2595015423 16.8587405747 429.8686919589
17 130.8086711200 263.2602039738 16.8914394484 429.8686919594
18 130.7251703173 263.2609448717 16.8806569159 429.8686919601
19 130.7169772442 263.2617260879 16.8795989371 429.8686919607
20 130.6678547102 263.2625406124 16.8732557008 429.8686919615
21 130.7063354871 263.2634065120 16.8782247576 429.8686919588
22 130.5656594568 263.2643148354 16.8600591373 429.8686919597
23 130.4578862982 263.2652597956 16.8461422940 429.8686919607
24 130.3475082175 263.2662581744 16.8318890748 429.8686919720
25 130.7309020340 263.2672818391 16.8813970575 429.8686919730
26 130.8226651255 263.2683535129 16.8932465067 429.8686919741
27 131.1559504490 263.2694539874 16.9362839355 429.8686919752
28 130.9173143835 263.2705908027 16.9054686492 429.8686919764
29 130.9736783387 263.2717607897 16.9127469766 429.8686919776
30 131.3024002674 263.2729679272 16.9551951301 429.8686919788
31 131.2942351319 263.2742186164 16.9541407589 429.8686919802
32 131.4023576009 263.2755099256 16.9681027090 429.8686919815
33 131.4547155464 263.2768444460 16.9748637369 429.8686919829
34 131.4303370498 263.2782187473 16.9717157200 429.8686919837
35 131.4710774046 263.2796421696 16.9769765581 429.8686919852
36 131.5737878242 263.2811319228 16.9902396455 429.8686919868
37 131.6110752812 263.2826589472 16.9950546078 429.8686919885
38 131.9042344129 263.2842199274 17.0329105059 429.8686919902
39 132.0669342798 263.2858245296 17.0539200836 429.8686919920
40 132.4647311942 263.2874680226 17.1052879512 429.8686919938
41 132.3304988286 263.2891548913 17.0879544070 429.8686919958
42 132.4601608613 263.2908808074 17.1046977801 429.8686919977
43 132.5911192667 263.2926367821 17.1216085548 429.8686919997
44 132.9502496489 263.2944188749 17.1679833789 429.8686920018
45 133.2314174010 263.2962418787 17.2042908195 429.8686920038
46 133.5618716315 263.2981040572 17.2469626667 429.8686920092
47 133.3648452565 263.2999977400 17.2215204765 429.8686920114
48 133.7620566404 263.3019424135 17.2728127340 429.8686920135
49 133.5761903415 263.3039226506 17.2488116544 429.8686920157
50 134.0398067266 263.3059522378 17.3086788484 429.8686920179
51 134.3127295532 263.3080327254 17.3439216145 429.8686920202
52 134.5095010718 263.3101516100 17.3693308948 429.8686920226
53 134.4106524937 263.3123104304 17.3565664904 429.8686920250
54 134.5413426313 263.3145182049 17.3734426236 429.8686920372
55 134.9814060710 263.3167704551 17.4302684049 429.8686920397
56 135.2464345037 263.3190513823 17.4644917609 429.8686920423
57 135.2217801147 263.3213812604 17.4613081179 429.8686920514
58 135.0371058418 263.3237536703 17.4374609656 429.8686920608
59 135.6044115702 263.3261876951 17.5107176563 429.8686920635
60 135.5163441493 263.3286697175 17.4993454323 429.8686920569
61 135.8462618119 263.3312021764 17.5419479920 429.8686920687
62 135.5712784856 263.3337878822 17.5064391518 429.8686920716
63 135.8559007855 263.3364140640 17.5431926812 429.8686920745
64 136.0981737453 263.3390801144 17.5744776029 429.8686920774
65 136.3472745582 263.3417812091 17.6066442113 429.8686920804
66 136.4768377472 263.3445060776 17.6233748205 429.8686920834
67 136.5718905697 263.3472753966 17.6356490756 429.8686920864
68 136.9307096239 263.3500986538 17.6819836976 429.8686920895
69 137.0287267098 263.3529640934 17.6946407306 429.8686920926
70 136.9026056571 263.3558505535 17.6783546075 429.8686920958
71 137.1641950349 263.3587807400 17.7121338753 429.8686920990
72 137.2800166361 263.3617531068 17.7270900211 429.8686921022
73 137.2218820844 263.3647526848 17.7195830550 429.8686921055
74 137.8739569163 263.3678008786 17.8037860551 429.8686920969
75 138.3576399052 263.3708972702 17.8662444674 429.8686921004
76 138.5559886770 263.3740292943 17.8918574198 429.8686921075
77 138.7051387822 263.3772152758 17.9111173049 429.8686921111
78 138.7595627546 263.3804321606 17.9181451206 429.8686921146
79 138.5205847557 263.3836806479 17.8872856801 429.8686921182
80 138.5077707320 263.3869735635 17.8856309939 429.8686921218
81 138.4856534230 263.3903047682 17.8827749662 429.8686921254
82 138.3790174275 263.3936794953 17.8690049658 429.8686921292
83 138.4742465484 263.3970872458 17.8813019864 429.8686921329
84 138.4080000652 263.4005256415 17.8727475194 429.8686921390
85 138.3854698427 263.4040055268 17.8698381719 429.8686921429
86 138.4821447667 263.4075250866 17.8823218903 429.8686921527
87 138.7445878525 263.4110803475 17.9162113982 429.8686921573
88 138.7152775802 263.4146717535 17.9124265368 429.8686921613
89 138.7908881100 263.4183109427 17.9221901915 429.8686921653
90 138.8830632075 263.4219982501 17.9340928434 429.8686921694
91 139.5671118101 263.4257384011 18.0224246447 429.8686921736
92 139.9464913236 263.4295247461 18.0714142570 429.8686921778
93 139.9518374325 263.4333392965 18.0721046047 429.8686921820
94 139.9391743335 263.4371869424 18.0704694076 429.8686921863
95 139.8447896149 263.4410731790 18.0582814253 429.8686921964
96 140.0697631915 263.4449843697 18.0873324623 429.8686922001
97 140.3594611923 263.4489471179 18.1247414215 429.8686922046
98 140.8455519472 263.4529407598 18.1875107508 429.8686922091
99 140.8172402178 263.4569615862 18.1838548322 429.8686922137
100 140.7185453082 263.4610092311 18.1711102712 429.8686922182
Loop time of 0.844031 on 1 procs for 100 steps with 1000 atoms
Performance: 10.237 ns/day, 2.345 hours/ns, 118.479 timesteps/s
100.0% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.071503 | 0.071503 | 0.071503 | 0.0 | 8.47
Neigh | 0.26602 | 0.26602 | 0.26602 | 0.0 | 31.52
Comm | 0.013571 | 0.013571 | 0.013571 | 0.0 | 1.61
Output | 0.0046957 | 0.0046957 | 0.0046957 | 0.0 | 0.56
Modify | 0.48701 | 0.48701 | 0.48701 | 0.0 | 57.70
Other | | 0.001228 | | | 0.15
Nlocal: 1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1726 ave 1726 max 1726 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 18773 ave 18773 max 18773 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 18773
Ave neighs/atom = 18.773
Neighbor list builds = 100
Dangerous builds not checked
Please see the log.cite file for references relevant to this simulation
Total wall time: 0:00:00
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