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lammps/examples/USER/dpd/dpdp-shardlow/log.dpdp-shardlow.reference
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log.dpdp-shardlow.reference
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boundary p p p
units metal
atom_style atomic # Can be either dpd or atomic
read_data data.dpd
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 300.0 10.0 234324
pair_coeff 1 1 0.075 0.022 10.0
neighbor 2.0 bin
neigh_modify every 1 delay 0 check no once no
timestep 0.001
thermo 1
thermo_style custom step temp press vol pe ke etotal enthalpy cella cellb cellc
thermo_modify format float %15.10f
fix 1 all shardlow
fix 0 all nph iso 0.0 0.0 1000.0
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 = 2.04718 Mbytes
Step Temp Press Volume PotEng KinEng TotEng Enthalpy Cella Cellb Cellc
0 128.6667660382 3065.7908751302 204306.2673181506 263.2538386154 16.6148533499 279.8686919654 670.8120681014 66.8305353589 57.8900140312 52.8084103339
1 128.8781761640 3065.9340218365 204306.2673289568 263.2538784443 16.6421529266 279.8960313709 670.8576613026 66.8305353600 57.8900140323 52.8084103348
2 129.0263870719 3066.0331169958 204306.2673613764 263.2539594358 16.6612915322 279.9152509680 670.8895173736 66.8305353636 57.8900140353 52.8084103376
3 129.0944236964 3066.0775853577 204306.2674154095 263.2540667231 16.6700771618 279.9241438848 670.9040809083 66.8305353695 57.8900140404 52.8084103423
4 129.1614376919 3066.1201695887 204306.2674910565 263.2542205543 16.6787307383 279.9329512926 670.9183187148 66.8305353777 57.8900140476 52.8084103488
5 129.5099127127 3066.3516291155 204306.2675883183 263.2544119877 16.7237296261 279.9781416138 670.9930244672 66.8305353883 57.8900140568 52.8084103572
6 129.4373658155 3066.2979832897 204306.2677071957 263.2546211781 16.7143615811 279.9689827592 670.9770250342 66.8305354013 57.8900140680 52.8084103674
7 129.5468804564 3066.3661894656 204306.2678476885 263.2548635146 16.7285033035 279.9833668181 671.0001068740 66.8305354166 57.8900140813 52.8084103795
8 129.6703134859 3066.4427527412 204306.2680097972 263.2551515311 16.7444423199 279.9995938510 671.0260974093 66.8305354343 57.8900140966 52.8084103935
9 129.7536784769 3066.4909380739 204306.2681935227 263.2554871768 16.7552073149 280.0106944917 671.0433428967 66.8305354543 57.8900141139 52.8084104093
10 129.6933330547 3066.4412060161 204306.2683988647 263.2558667340 16.7474148571 280.0032815912 671.0295886589 66.8305354767 57.8900141333 52.8084104270
11 130.0493626138 3066.6716229532 204306.2686258238 263.2562750927 16.7933892692 280.0496643619 671.1053541603 66.8305355014 57.8900141547 52.8084104465
12 130.3213016818 3066.8440489028 204306.2688744015 263.2567151478 16.8285050016 280.0852201494 671.1628978279 66.8305355285 57.8900141782 52.8084104680
13 130.5593607103 3066.9922169334 204306.2691445989 263.2571951093 16.8592457746 280.1164408840 671.2130131637 66.8305355580 57.8900142037 52.8084104912
14 130.1135600843 3066.6777117324 204306.2694364155 263.2576949083 16.8016791453 280.0593740536 671.1158418322 66.8305355898 57.8900142313 52.8084105164
15 130.6547963417 3067.0283008545 204306.2697498515 263.2582241459 16.8715694622 280.1297936080 671.2309683942 66.8305356240 57.8900142609 52.8084105434
16 130.9755531935 3067.2288355184 204306.2700849086 263.2587905777 16.9129890783 280.1717796560 671.2985268537 66.8305356605 57.8900142926 52.8084105723
17 131.2014454974 3067.3641769107 204306.2704415883 263.2594031106 16.9421587513 280.2015618620 671.3455682001 66.8305356994 57.8900143262 52.8084106030
18 131.5359721707 3067.5714631111 204306.2708198916 263.2600649028 16.9853564767 280.2454213795 671.4158611542 66.8305357407 57.8900143620 52.8084106356
19 131.5639681439 3067.5705655906 204306.2712198192 263.2607641517 16.9889716215 280.2497357731 671.4200618636 66.8305357843 57.8900143997 52.8084106700
20 131.8466979060 3067.7405506504 204306.2716413717 263.2614923308 17.0254807658 280.2869730966 671.4789761415 66.8305358302 57.8900144396 52.8084107064
21 131.7458606698 3067.6501610601 204306.2720845494 263.2622636973 17.0124595643 280.2747232616 671.4552008593 66.8305358786 57.8900144814 52.8084107445
22 132.0934634942 3067.8611721914 204306.2725493530 263.2630740031 17.0573458246 280.3204198277 671.5278060235 66.8305359292 57.8900145253 52.8084107846
23 132.1061490539 3067.8452272408 204306.2730357830 263.2639187332 17.0589839221 280.3229026553 671.5282565150 66.8305359823 57.8900145713 52.8084108265
24 132.0864187320 3067.8064692879 204306.2735438391 263.2648061201 17.0564361282 280.3212422483 671.5216547458 66.8305360377 57.8900146193 52.8084108703
25 132.4555503012 3068.0294628610 204306.2740735220 263.2657237919 17.1041024143 280.3698262063 671.5986754029 66.8305360954 57.8900146693 52.8084109159
26 132.5425396026 3068.0605856855 204306.2746248327 263.2666902136 17.1153354198 280.3820256334 671.6148446047 66.8305361555 57.8900147214 52.8084109634
27 132.6414561712 3068.0981288018 204306.2751977713 263.2677103029 17.1281086038 280.3958189068 671.6334263968 66.8305362180 57.8900147755 52.8084110128
28 132.8195557714 3068.1880757315 204306.2757923383 263.2687564664 17.1511067628 280.4198632292 671.6689417066 66.8305362828 57.8900148316 52.8084110640
29 133.0651548752 3068.3224074813 204306.2764085347 263.2698607264 17.1828211924 280.4526819188 671.7188912867 66.8305363500 57.8900148898 52.8084111171
30 133.3017656825 3068.4496355722 204306.2770463612 263.2709902617 17.2133749553 280.4843652170 671.7667996729 66.8305364196 57.8900149501 52.8084111721
31 133.2181169549 3068.3592522301 204306.2777058180 263.2721596133 17.2025733211 280.4747329344 671.7456431539 66.8305364915 57.8900150123 52.8084112289
32 133.5618196837 3068.5561657520 204306.2783869054 263.2733741839 17.2469559586 280.5203301425 671.8163516770 66.8305365658 57.8900150767 52.8084112875
33 133.5661113072 3068.5225231843 204306.2790896240 263.2746385114 17.2475101397 280.5221486512 671.8138814999 66.8305366424 57.8900151430 52.8084113481
34 133.9344409280 3068.7332886556 204306.2798139747 263.2759490654 17.2950728696 280.5710219350 671.8896325541 66.8305367214 57.8900152115 52.8084114105
35 134.0251903481 3068.7554422023 204306.2805599582 263.2773099950 17.3067914225 280.5841014175 671.9055384405 66.8305368027 57.8900152819 52.8084114748
36 134.3358662330 3068.9247619878 204306.2813275750 263.2787224847 17.3469092744 280.6256317591 671.9686615663 66.8305368864 57.8900153544 52.8084115409
37 134.6482096693 3069.0939486549 204306.2821168264 263.2801733161 17.3872424587 280.6674157749 672.0320214328 66.8305369724 57.8900154290 52.8084116089
38 134.2954241696 3068.8129844727 204306.2829277119 263.2816463125 17.3416869550 280.6233332675 671.9521124987 66.8305370609 57.8900155056 52.8084116788
39 134.0353990053 3068.5937480649 204306.2837602301 263.2831586466 17.3081096754 280.5912683220 671.8920925677 66.8305371516 57.8900155842 52.8084117505
40 134.0661096287 3068.5695889226 204306.2846143798 263.2846992099 17.3120753654 280.5967745753 671.8945197323 66.8305372448 57.8900156649 52.8084118241
41 134.3213893449 3068.6956839852 204306.2854901617 263.2862823101 17.3450398611 280.6313221711 671.9451483911 66.8305373403 57.8900157476 52.8084118996
42 134.4478159847 3068.7334555670 204306.2863875760 263.2879050936 17.3613654449 280.6492705385 671.9679150326 66.8305374381 57.8900158323 52.8084119769
43 134.5229805032 3068.7357045585 204306.2873066230 263.2895707681 17.3710715057 280.6606422738 671.9795753149 66.8305375383 57.8900159191 52.8084120561
44 134.2978602830 3068.5344030900 204306.2882473019 263.2912685684 17.3420015325 280.6332701009 671.9265353900 66.8305376409 57.8900160080 52.8084121371
45 134.4285957415 3068.5722177449 204306.2892096124 263.2929985679 17.3588835179 280.6518820858 671.9499712659 66.8305377458 57.8900160989 52.8084122200
46 134.3890633912 3068.4939450711 204306.2901935542 263.2947639946 17.3537786705 280.6485426651 671.9366525574 66.8305378531 57.8900161918 52.8084123048
47 134.7017020134 3068.6523501535 204306.2911991276 263.2965656113 17.3941499725 280.6907155838 671.9990268961 66.8305379628 57.8900162868 52.8084123914
48 135.3432669980 3069.0313768964 204306.2922263342 263.2984321292 17.4769958266 280.7754279559 672.1320739558 66.8305380748 57.8900163838 52.8084124799
49 135.2888601690 3068.9393187512 204306.2932751755 263.3003504562 17.4699702247 280.7703206808 672.1152296222 66.8305381891 57.8900164829 52.8084125703
50 134.8400369547 3068.5806102794 204306.2943456496 263.3023024093 17.4120132858 280.7143156952 672.0134849110 66.8305383058 57.8900165840 52.8084126625
51 134.9125282999 3068.5727411569 204306.2954377555 263.3043099800 17.4213741574 280.7256841374 672.0238519903 66.8305384249 57.8900166871 52.8084127566
52 134.9445761663 3068.5364265426 204306.2965514932 263.3063613000 17.4255125267 280.7318738267 672.0254130468 66.8305385464 57.8900167923 52.8084128526
53 134.9641611904 3068.4901429966 204306.2976868616 263.3084644171 17.4280415582 280.7365059753 672.0241453860 66.8305386702 57.8900168996 52.8084129504
54 135.1512150560 3068.5555596237 204306.2988438614 263.3106154196 17.4521959894 280.7628114090 672.0587948313 66.8305387963 57.8900170088 52.8084130501
55 135.3892315779 3068.6540323579 204306.3000224932 263.3128003337 17.4829312735 280.7957316072 672.1042743302 66.8305389248 57.8900171202 52.8084131516
56 135.3265008915 3068.5480189159 204306.3012227568 263.3150330541 17.4748308045 280.7898638585 672.0848902611 66.8305390557 57.8900172335 52.8084132551
57 135.3024634130 3068.4668168613 204306.3024446515 263.3173015297 17.4717268236 280.7890283533 672.0737023745 66.8305391889 57.8900173489 52.8084133603
58 135.2521293970 3068.3666950252 204306.3036881768 263.3196055001 17.4652271476 280.7848326476 672.0567417166 66.8305393245 57.8900174664 52.8084134675
59 135.0019308452 3068.1306120627 204306.3049533316 263.3219467372 17.4329187872 280.7548655243 671.9966721947 66.8305394625 57.8900175859 52.8084135765
60 135.3361178986 3068.2878435126 204306.3062401155 263.3243328810 17.4760726571 280.8004055381 672.0622645090 66.8305396028 57.8900177074 52.8084136874
61 135.3139081244 3068.2035774253 204306.3075485286 263.3267589778 17.4732046893 280.7999636671 672.0510797027 66.8305397454 57.8900178310 52.8084138001
62 135.7430205344 3068.4226983441 204306.3088785714 263.3292333495 17.5286163545 280.8578497040 672.1369101433 66.8305398905 57.8900179566 52.8084139147
63 136.0382527386 3068.5500741031 204306.3102302457 263.3317605359 17.5667399503 280.8985004861 672.1938062135 66.8305400378 57.8900180843 52.8084140311
64 136.0795110412 3068.5046583092 204306.3116035512 263.3343072525 17.5720676714 280.9063749238 672.1958919511 66.8305401876 57.8900182140 52.8084141495
65 136.5429104992 3068.7428965120 204306.3129984887 263.3368943008 17.6319068534 280.9688011542 672.2887005078 66.8305403397 57.8900183457 52.8084142696
66 136.6747848955 3068.7560934485 204306.3144150592 263.3395194563 17.6489359109 280.9884553672 672.3100402808 66.8305404941 57.8900184795 52.8084143917
67 136.9345148389 3068.8545703617 204306.3158532631 263.3421896806 17.6824750683 281.0246647490 672.3588099945 66.8305406510 57.8900186154 52.8084145156
68 136.5690881694 3068.5302814448 204306.3173130994 263.3448899028 17.6352871991 280.9801771020 672.2729724748 66.8305408101 57.8900187532 52.8084146414
69 137.0307072166 3068.7630696250 204306.3187945680 263.3476374865 17.6948964752 281.0425339617 672.3650168515 66.8305409717 57.8900188932 52.8084147690
70 137.1048864397 3068.7333916895 204306.3202976695 263.3504277984 17.7044753039 281.0549031023 672.3736044006 66.8305411356 57.8900190351 52.8084148985
71 137.2866532809 3068.7750522066 204306.3218224039 263.3532577755 17.7279470169 281.0812047925 672.4052214764 66.8305413018 57.8900191791 52.8084150299
72 137.3464916785 3068.7338430357 204306.3233687715 263.3561237403 17.7356740022 281.0917977425 672.4105624778 66.8305414704 57.8900193252 52.8084151631
73 137.4267886898 3068.7058777536 204306.3249367717 263.3590305503 17.7460428263 281.1050733766 672.4202750386 66.8305416414 57.8900194733 52.8084152982
74 137.7032214008 3068.8096995216 204306.3265264051 263.3619634311 17.7817388269 281.1437022580 672.4721461079 66.8305418147 57.8900196234 52.8084154352
75 138.2326481893 3069.0827847254 204306.3281376729 263.3649465758 17.8501041765 281.2150507524 672.5783209650 66.8305419904 57.8900197756 52.8084155740
76 138.4006889617 3069.1105563660 204306.3297705762 263.3679794432 17.8718034302 281.2397828734 672.6065975977 66.8305421684 57.8900199299 52.8084157147
77 138.5404442761 3069.1182683851 204306.3314251149 263.3710629684 17.8898501576 281.2609131260 672.6287144410 66.8305423489 57.8900200861 52.8084158573
78 138.8911793449 3069.2673604038 204306.3331012898 263.3741701271 17.9351408874 281.3093110144 672.6961274554 66.8305425316 57.8900202444 52.8084160017
79 138.9740932597 3069.2343926248 204306.3347991015 263.3773233601 17.9458476345 281.3231709947 672.7057867031 66.8305427167 57.8900204048 52.8084161480
80 139.4197304629 3069.4447568636 204306.3365185501 263.3805326609 18.0033931609 281.3839258218 672.7933700502 66.8305429042 57.8900205672 52.8084162961
81 140.0251352305 3069.7614239791 204306.3382596380 263.3837812869 18.0815696143 281.4653509011 672.9151792214 66.8305430941 57.8900207316 52.8084164461
82 140.4343345655 3069.9447540285 204306.3400223666 263.3870704597 18.1344098865 281.5214803462 672.9946899248 66.8305432863 57.8900208981 52.8084165980
83 140.8339491089 3070.1205252103 204306.3418067374 263.3904045656 18.1860124661 281.5764170317 673.0720440188 66.8305434808 57.8900210667 52.8084167517
84 141.2138258327 3070.2828678237 204306.3436127514 263.3937910919 18.2350662835 281.6288573754 673.1451894287 66.8305436777 57.8900212372 52.8084169073
85 141.4316065757 3070.3348892447 204306.3454404095 263.3972231992 18.2631885036 281.6604117028 673.1833809261 66.8305438770 57.8900214099 52.8084170648
86 141.6165004814 3070.3639126512 204306.3472897119 263.4006984023 18.2870640172 281.6877624195 673.2144361936 66.8305440787 57.8900215845 52.8084172241
87 141.7511192071 3070.3578486993 204306.3491606587 263.4042216826 18.3044474524 281.7086691350 673.2345732314 66.8305442827 57.8900217612 52.8084173853
88 141.8992247234 3070.3595802006 204306.3510532499 263.4077909549 18.3235724488 281.7313634037 673.2574919246 66.8305444890 57.8900219400 52.8084175484
89 142.0700970483 3070.3750740931 204306.3529674857 263.4114074261 18.3456373433 281.7570447694 673.2851527089 66.8305446978 57.8900221208 52.8084177133
90 141.8940825299 3070.1552595577 204306.3549033653 263.4150659370 18.3229084328 281.7379743697 673.2380557076 66.8305449088 57.8900223036 52.8084178801
91 141.9603474040 3070.0979256101 204306.3568608877 263.4187731305 18.3314652746 281.7502384052 673.2430123833 66.8305451223 57.8900224885 52.8084180488
92 142.2257467272 3070.1741170513 204306.3588400529 263.4225144876 18.3657365240 281.7882510116 673.2907445632 66.8305453381 57.8900226755 52.8084182193
93 142.5512734406 3070.2900234936 204306.3608408618 263.4263001648 18.4077720766 281.8340722414 673.3513497860 66.8305455562 57.8900228644 52.8084183917
94 142.6487617290 3070.2508281658 204306.3628633145 263.4301422965 18.4203608255 281.8505031221 673.3627864321 66.8305457768 57.8900230555 52.8084185659
95 142.7997358153 3070.2465681156 204306.3649074107 263.4340465006 18.4398562429 281.8739027435 673.3856467375 66.8305459996 57.8900232485 52.8084187421
96 143.4667389211 3070.5895488558 204306.3669731518 263.4380042392 18.5259869441 281.9639911833 673.5194753590 66.8305462249 57.8900234436 52.8084189200
97 143.4616118167 3070.4774890551 204306.3690605387 263.4420072006 18.5253248766 281.9673320772 673.5085306100 66.8305464525 57.8900236408 52.8084190999
98 143.3138195521 3070.2680530999 204306.3711695701 263.4460419232 18.5062403307 281.9522822539 673.4667779706 66.8305466824 57.8900238400 52.8084192816
99 143.5996384267 3070.3502690101 204306.3733002460 263.4501213575 18.5431483749 281.9932697324 673.5182535422 66.8305469148 57.8900240412 52.8084194652
100 143.4332465710 3070.1261458307 204306.3754525654 263.4542352328 18.5216620473 281.9758972802 673.4723054704 66.8305471495 57.8900242445 52.8084196506
Loop time of 0.363578 on 1 procs for 100 steps with 1000 atoms
Performance: 23.764 ns/day, 1.010 hours/ns, 275.044 timesteps/s
99.0% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.04388 | 0.04388 | 0.04388 | 0.0 | 12.07
Neigh | 0.16374 | 0.16374 | 0.16374 | 0.0 | 45.04
Comm | 0.0078104 | 0.0078104 | 0.0078104 | 0.0 | 2.15
Output | 0.0017376 | 0.0017376 | 0.0017376 | 0.0 | 0.48
Modify | 0.14291 | 0.14291 | 0.14291 | 0.0 | 39.31
Other | | 0.003504 | | | 0.96
Nlocal: 1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1728 ave 1728 max 1728 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 18783 ave 18783 max 18783 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 18783
Ave neighs/atom = 18.783
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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