PROJECT #14908 FOLDING AT HOME PPD DATABASE

FOLDING FOR: COVID-19

PPDDB data as of Thursday, 29 October 2020 21:00:57

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: 215,357

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 6,074,229 241,012 25.20 1 hrs 57 mins
Tesla V100 SXM2 16GB Nvidia GV100GL 5,280,879 229,160 23.04 1 hrs 2 mins
GeForce RTX 3080 10GB / 20GB Nvidia GA102 4,968,413 223,250 22.25 1 hrs 5 mins
GeForce RTX 2080 Ti Rev. A Nvidia TU102 4,562,515 218,577 20.87 1 hrs 9 mins
TITAN RTX Nvidia TU102 4,322,050 216,794 19.94 1 hrs 12 mins
GeForce RTX 2080 Ti Nvidia TU102 3,433,654 199,012 17.25 1 hrs 23 mins
Quadro RTX 6000/8000 Nvidia TU102GL 3,055,754 192,730 15.86 2 hrs 31 mins
GeForce RTX 3070 Nvidia GA104 2,869,756 187,862 15.28 2 hrs 34 mins
GeForce RTX 2080 Super Nvidia TU104 2,616,790 181,495 14.42 2 hrs 40 mins
TITAN Xp Nvidia GP102 2,578,971 182,080 14.16 2 hrs 42 mins
GeForce RTX 2080 Nvidia TU104 2,577,904 181,137 14.23 2 hrs 41 mins
GeForce RTX 2070 SUPER Nvidia TU104 2,487,951 178,166 13.96 2 hrs 43 mins
GeForce RTX 2070 Rev. A Nvidia TU106 2,204,389 171,734 12.84 2 hrs 52 mins
GeForce GTX 1080 Ti Nvidia GP102 2,055,691 168,112 12.23 2 hrs 58 mins
GeForce RTX 2060 Super Nvidia TU106 1,966,956 165,132 11.91 2 hrs 1 mins
Radeon VII AMD Vega 20 1,887,895 163,755 11.53 2 hrs 5 mins
GeForce RTX 2080 SUPER Mobile / Max-Q Nvidia TU104M 1,812,688 161,367 11.23 2 hrs 8 mins
GeForce RTX 2080 Rev. A Nvidia TU104 1,774,662 124,819 14.22 2 hrs 41 mins
GeForce RTX 2060 KO Nvidia TU106-200A 1,749,960 158,609 11.03 2 hrs 11 mins
Quadro RTX 4000 Nvidia TU104GL 1,625,952 155,697 10.44 2 hrs 18 mins
GeForce RTX 2080 SUPER Mobile / Max-Q Nvidia TU104BM 1,623,681 155,978 10.41 2 hrs 18 mins
GeForce RTX 2060 Mobile Nvidia TU106M 1,513,632 152,414 9.93 2 hrs 25 mins
GeForce RTX 2070 Nvidia TU106 1,490,678 147,183 10.13 2 hrs 22 mins
GeForce RTX 2060 Nvidia TU106 1,468,525 150,181 9.78 2 hrs 27 mins
GeForce RTX 2060 Nvidia TU104 1,466,402 149,985 9.78 2 hrs 27 mins
GeForce GTX 1080 Nvidia GP104 1,214,968 140,097 8.67 3 hrs 46 mins
Radeon RX Vega 56/64 AMD Vega 10 XL/XT 1,199,076 138,696 8.65 3 hrs 47 mins
GeForce GTX 1070 Ti Nvidia GP104 1,126,001 137,126 8.21 3 hrs 55 mins
GeForce GTX 1660 SUPER Nvidia TU116 1,108,625 136,238 8.14 3 hrs 57 mins
GeForce GTX 1660 Ti Nvidia TU116 1,042,414 135,128 7.71 3 hrs 7 mins
Radeon RX 5600/5600 XT - 5700/5700 XT AMD Navi 10 1,002,475 129,866 7.72 3 hrs 7 mins
GeForce GTX 980 Ti Nvidia GM200 984,381 130,077 7.57 3 hrs 10 mins
GeForce GTX 1070 Nvidia GP104 960,022 130,048 7.38 3 hrs 15 mins
GeForce GTX 1070 Mobile Nvidia GP104M 933,086 125,259 7.45 3 hrs 13 mins
GeForce GTX 1660 Nvidia TU116 830,153 124,305 6.68 4 hrs 36 mins
GeForce GTX 980 Nvidia GM204 674,386 116,154 5.81 4 hrs 8 mins
P104-100 Nvidia GP104 673,416 116,201 5.80 4 hrs 8 mins
Radeon R9 Fury X AMD Fiji XT 650,182 114,723 5.67 4 hrs 14 mins
GeForce GTX 1060 6GB Nvidia GP106 635,451 113,626 5.59 4 hrs 17 mins
GeForce GTX 1060 3GB Nvidia GP106 600,589 111,815 5.37 4 hrs 28 mins
GeForce GTX 1650 Ti Mobile Nvidia TU116M 583,610 111,001 5.26 5 hrs 34 mins
GeForce GTX 1650 SUPER Nvidia TU116 563,454 109,726 5.14 5 hrs 40 mins
Radeon R9 200/300X Series AMD Hawaii 562,144 108,892 5.16 5 hrs 39 mins
GeForce GTX 970 Nvidia GM204 561,993 109,192 5.15 5 hrs 40 mins
Radeon RX 470/480/570/580/590 AMD Ellesmere XT 521,298 106,309 4.90 5 hrs 54 mins
P106-100 Nvidia GP106 449,376 101,664 4.42 5 hrs 26 mins
GeForce GTX 1650 Nvidia TU116 449,095 100,076 4.49 5 hrs 21 mins
Radeon R9 200/300 Series AMD Hawaii 412,296 97,811 4.22 6 hrs 42 mins
GeForce GTX 1650 Mobile / Max-Q Nvidia TU117M 410,862 98,778 4.16 6 hrs 46 mins
GeForce GTX 1050 Ti Nvidia GP107 328,270 90,556 3.63 7 hrs 37 mins
Radeon R9 280/HD 7900/8950 AMD Tahiti PRO 312,707 89,808 3.48 7 hrs 54 mins
P106-090 Nvidia GP106 294,307 87,904 3.35 7 hrs 10 mins
GeForce GTX 960 Nvidia GM206 277,916 86,775 3.20 7 hrs 30 mins
GeForce GTX 1050 LP Nvidia GP107 277,636 86,758 3.20 7 hrs 30 mins
Quadro T1000 Mobile Nvidia TU117GLM 251,376 83,734 3.00 8 hrs 60 mins
GeForce GTX 660 Ti Nvidia GK104 184,409 74,836 2.46 10 hrs 44 mins
GeForce GTX 680 Nvidia GK104 175,400 73,454 2.39 10 hrs 3 mins
GeForce GTX 750 Ti Nvidia GM107 158,287 71,773 2.21 11 hrs 53 mins
Radeon HD 7800 AMD Pitcairn 143,527 69,452 2.07 12 hrs 37 mins
Radeon RX 460 AMD Baffin XT 127,682 66,721 1.91 13 hrs 32 mins
GeForce GT 1030 Nvidia GP108 106,886 63,061 1.69 14 hrs 10 mins
GeForce GTX 670MX Nvidia GK106 75,337 46,745 1.61 15 hrs 53 mins
GeForce GTX 960M Nvidia GM107 50,498 31,052 1.63 15 hrs 45 mins
GeForce GTX 560 Ti Nvidia GF114 36,193 43,865 0.83 29 hrs 5 mins
Radeon RX Vega gfx902 AMD raven 31,534 41,997 0.75 32 hrs 58 mins
Quadro K2000 Nvidia GK107 29,530 41,160 0.72 33 hrs 27 mins
GeForce GT 640 Nvidia GK107 24,880 38,875 0.64 38 hrs 30 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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