PROJECT #14905 FOLDING AT HOME PPD DATABASE

FOLDING FOR: COVID-19

PPDDB data as of Thursday, 29 October 2020 21:22:55

PROJECT SUMMARY

COVID-19 PROJECT

This system is the solvated human ACE2 (Angiotension-converting enzyme 2) and the RBD (receptor-binding domain) complex involved in SARS-CoV-2 transfection. These simulations will allow us to understand the major interactions responsible for binding of these proteins and how the protein behave in the body.

 

The long-term reseaerch goal of the Shukla group is to combine theory, computation, and experiments to develop quantitative models of biological phenomena relevant for health, energy, and climate change. Under the broad umbrella of molecular engineering and sciences, our research program is focused on developing a platform for understanding regulation of protein function such as elucidating mechanistic insights to regulat plant growth and development in context of global climate change. We integrate ideas from a wide range of disciplines tied together by a vision of "dynamic" biology and its role in engineering products for human health, energy, and climate change. https://shuklagroup.org/ 

PROJECT INFO

Manager(s): Matthew Chan

Institution: University of Illinois at Urbana-Champaign

PROJECT WORK UNIT SUMMARY

Atoms: 110,052

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

Model Make GPU PPD
(Average)
Points WU
(Average)
WUs Day
(Average)
WU Time
(Average)
GeForce RTX 3090 Nvidia GA102 5,435,497 203,950 26.65 1 hrs 54 mins
GeForce RTX 3080 10GB / 20GB Nvidia GA102 4,466,469 194,095 23.01 1 hrs 3 mins
TITAN RTX Nvidia TU102 4,463,374 194,458 22.95 1 hrs 3 mins
GeForce RTX 2080 Ti Rev. A Nvidia TU102 4,301,709 190,891 22.53 1 hrs 4 mins
GeForce RTX 2080 Ti Nvidia TU102 3,026,837 170,403 17.76 1 hrs 21 mins
TITAN Xp Nvidia GP102 2,678,940 164,293 16.31 1 hrs 28 mins
GeForce RTX 2080 Super Nvidia TU104 2,474,300 159,161 15.55 2 hrs 33 mins
Quadro RTX 6000/8000 Nvidia TU102GL 2,473,249 153,025 16.16 1 hrs 29 mins
GeForce RTX 2070 SUPER Nvidia TU104 2,280,294 152,500 14.95 2 hrs 36 mins
GeForce RTX 2080 Nvidia TU104 2,066,126 149,844 13.79 2 hrs 44 mins
GeForce GTX 1080 Ti Nvidia GP102 2,017,575 149,038 13.54 2 hrs 46 mins
GeForce RTX 2070 Rev. A Nvidia TU106 1,988,190 147,877 13.44 2 hrs 47 mins
GeForce RTX 2060 KO Nvidia TU106-200A 1,818,158 144,666 12.57 2 hrs 55 mins
GeForce RTX 2060 Super Nvidia TU106 1,800,438 143,228 12.57 2 hrs 55 mins
GeForce RTX 2070 Mobile Nvidia TU106BM 1,707,293 141,277 12.08 2 hrs 59 mins
GeForce RTX 2080 SUPER Mobile / Max-Q Nvidia TU104M 1,706,691 141,482 12.06 2 hrs 59 mins
Quadro RTX 4000 Nvidia TU104GL 1,510,580 136,594 11.06 2 hrs 10 mins
GeForce RTX 2060 Nvidia TU104 1,502,144 134,438 11.17 2 hrs 9 mins
GeForce RTX 2060 Nvidia TU106 1,383,990 131,202 10.55 2 hrs 17 mins
Radeon VII AMD Vega 20 1,329,967 130,316 10.21 2 hrs 21 mins
GeForce GTX 1070 Ti Nvidia GP104 1,271,742 127,982 9.94 2 hrs 25 mins
GeForce GTX 1080 Nvidia GP104 1,237,109 125,200 9.88 2 hrs 26 mins
GeForce RTX 2070 Nvidia TU106 1,232,763 124,659 9.89 2 hrs 26 mins
GeForce GTX 1660 Ti Nvidia TU116 1,100,396 122,266 9.00 3 hrs 40 mins
GeForce GTX 1660 SUPER Nvidia TU116 1,071,786 121,284 8.84 3 hrs 43 mins
Tesla T4 Nvidia TU104GL 1,065,446 120,841 8.82 3 hrs 43 mins
Radeon RX Vega 56/64 AMD Vega 10 XL/XT 1,039,410 112,743 9.22 3 hrs 36 mins
GeForce GTX Titan X Nvidia GM200 996,439 118,399 8.42 3 hrs 51 mins
GeForce GTX 1070 Nvidia GP104 954,256 115,659 8.25 3 hrs 55 mins
Radeon RX 5600/5600 XT - 5700/5700 XT AMD Navi 10 869,647 111,369 7.81 3 hrs 4 mins
GeForce GTX 980 Ti Nvidia GM200 867,727 111,574 7.78 3 hrs 5 mins
GeForce GTX 1660 Nvidia TU116 804,408 109,200 7.37 3 hrs 15 mins
GeForce RTX 2060 Mobile / Max-Q Nvidia TU106M 793,874 109,798 7.23 3 hrs 19 mins
GeForce GTX 980 Nvidia GM204 644,526 101,059 6.38 4 hrs 46 mins
GeForce GTX 1060 3GB Nvidia GP106 626,093 101,274 6.18 4 hrs 53 mins
P106-090 Nvidia GP106 607,342 81,117 7.49 3 hrs 12 mins
GeForce GTX 1060 6GB Nvidia GP106 586,449 92,870 6.31 4 hrs 48 mins
P104-100 Nvidia GP104 581,537 99,022 5.87 4 hrs 5 mins
GeForce GTX 970 Nvidia GM204 539,107 96,315 5.60 4 hrs 17 mins
GeForce GTX 1650 Ti Mobile Nvidia TU116M 523,111 93,240 5.61 4 hrs 17 mins
GeForce GTX 1650 SUPER Nvidia TU116 520,327 87,804 5.93 4 hrs 3 mins
Radeon R9 Fury X AMD Fiji XT 498,248 93,920 5.31 5 hrs 31 mins
GeForce GTX 1650 Nvidia TU116 471,221 92,145 5.11 5 hrs 42 mins
Quadro P2200 Nvidia GP106GL 458,155 91,668 5.00 5 hrs 48 mins
Radeon RX 470/480/570/580/590 AMD Ellesmere XT 434,212 89,269 4.86 5 hrs 56 mins
P106-100 Nvidia GP106 404,535 87,655 4.62 5 hrs 12 mins
GeForce GTX 1650 Mobile / Max-Q Nvidia TU117M 404,029 87,483 4.62 5 hrs 12 mins
Radeon R9 200/300X Series AMD Hawaii 343,497 82,296 4.17 6 hrs 45 mins
GeForce GTX 1050 Ti Nvidia GP107 342,853 82,635 4.15 6 hrs 47 mins
Radeon R9 200/300 Series AMD Hawaii 325,760 80,107 4.07 6 hrs 54 mins
GeForce GTX 960 Nvidia GM206 283,177 77,989 3.63 7 hrs 37 mins
Radeon R9 280/HD 7900/8950 AMD Tahiti PRO 245,626 74,246 3.31 7 hrs 15 mins
GeForce GTX 680 Nvidia GK104 216,327 71,299 3.03 8 hrs 55 mins
Quadro T1000 Mobile Nvidia TU117GLM 210,722 69,612 3.03 8 hrs 56 mins
GeForce GT 1030 Nvidia GP108 194,422 61,292 3.17 8 hrs 34 mins
GeForce GTX 660 Ti Nvidia GK104 182,798 66,941 2.73 9 hrs 47 mins
Radeon RX Vega M XL AMD Vega 153,656 63,044 2.44 10 hrs 51 mins
Quadro P620 Nvidia GP107GL 136,539 61,196 2.23 11 hrs 45 mins
Radeon HD 7800 AMD Pitcairn 124,280 59,118 2.10 11 hrs 25 mins
Radeon HD 7800 Series AMD Pitcairn PRO 99,620 55,056 1.81 13 hrs 16 mins
GeForce GTX 750 Ti Nvidia GM107 95,599 54,383 1.76 14 hrs 39 mins
GeForce GTX 760 Nvidia GK104 70,371 48,950 1.44 17 hrs 42 mins
GeForce GTX 960M Nvidia GM107 69,391 40,192 1.73 14 hrs 54 mins
GeForce GTX 560 Nvidia GF114 32,859 38,107 0.86 28 hrs 50 mins
GeForce GTX 560 Ti Nvidia GF114 32,585 37,827 0.86 28 hrs 52 mins
GeForce GTX 460 v2 Nvidia GF114 23,293 33,850 0.69 35 hrs 53 mins
Radeon RX Vega gfx902 AMD raven 16,789 30,096 0.56 43 hrs 1 mins
GeForce GTX 550 Ti Nvidia GF116 16,561 30,324 0.55 44 hrs 57 mins

PROJECT FOLDING PPD AVERAGES BY CPU (BETA TEST)

CPU Model Make Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
 

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