PROJECT #14909 FOLDING AT HOME PPD DATABASE

FOLDING FOR: COVID-19

PPDDB data as of Monday, 26 October 2020 11:36:48

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: 169,725

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 6,324,377 355,428 17.79 1 hrs 21 mins
GeForce RTX 3080 10GB / 20GB Nvidia GA102 5,214,633 333,248 15.65 2 hrs 32 mins
TITAN RTX Nvidia TU102 5,197,550 333,488 15.59 2 hrs 32 mins
GeForce RTX 2080 Ti Rev. A Nvidia TU102 5,055,840 328,451 15.39 2 hrs 34 mins
Tesla V100 SXM2 16GB Nvidia GV100GL 5,007,340 330,117 15.17 2 hrs 35 mins
GeForce RTX 2080 Ti Nvidia TU102 3,388,667 284,499 11.91 2 hrs 1 mins
Quadro RTX 6000/8000 Nvidia TU102GL 3,339,891 287,553 11.61 2 hrs 4 mins
GeForce RTX 2080 Nvidia TU104 2,815,342 270,789 10.40 2 hrs 19 mins
GeForce RTX 2080 Super Nvidia TU104 2,766,781 268,084 10.32 2 hrs 20 mins
GeForce RTX 2070 Rev. A Nvidia TU106 2,660,337 267,094 9.96 2 hrs 25 mins
GeForce RTX 2070 SUPER Nvidia TU104 2,561,663 260,940 9.82 2 hrs 27 mins
GeForce GTX 1080 Ti Nvidia GP102 2,128,044 246,221 8.64 3 hrs 47 mins
GeForce RTX 2060 Super Nvidia TU106 2,022,344 242,453 8.34 3 hrs 53 mins
GeForce RTX 2080 SUPER Mobile / Max-Q Nvidia TU104M 1,907,642 240,321 7.94 3 hrs 1 mins
Radeon VII AMD Vega 20 1,640,367 227,110 7.22 3 hrs 19 mins
GeForce RTX 2060 Nvidia TU104 1,521,145 228,055 6.67 4 hrs 36 mins
GeForce RTX 2060 Nvidia TU106 1,472,275 218,250 6.75 4 hrs 33 mins
GeForce RTX 2070 Nvidia TU106 1,368,910 210,230 6.51 4 hrs 41 mins
GeForce GTX 1070 Ti Nvidia GP104 1,245,572 206,818 6.02 4 hrs 59 mins
GeForce GTX 1660 SUPER Nvidia TU116 1,158,303 202,364 5.72 4 hrs 12 mins
GeForce GTX 1080 Nvidia GP104 1,136,116 198,743 5.72 4 hrs 12 mins
Radeon RX Vega 56/64 AMD Vega 10 XL/XT 1,027,664 192,385 5.34 4 hrs 30 mins
Tesla T4 Nvidia TU104GL 1,020,685 192,642 5.30 5 hrs 32 mins
Radeon RX 5600/5600 XT - 5700/5700 XT AMD Navi 10 962,526 187,208 5.14 5 hrs 40 mins
GeForce GTX 1070 Nvidia GP104 911,688 185,947 4.90 5 hrs 54 mins
GeForce GTX 980 Ti Nvidia GM200 900,357 184,975 4.87 5 hrs 56 mins
GeForce GTX 1660 Nvidia TU116 693,491 157,542 4.40 5 hrs 27 mins
P104-100 Nvidia GP104 685,917 170,136 4.03 6 hrs 57 mins
GeForce GTX 1060 3GB Nvidia GP106 661,381 168,089 3.93 6 hrs 6 mins
GeForce GTX 980 Nvidia GM204 641,256 155,506 4.12 6 hrs 49 mins
GeForce GTX 970 Nvidia GM204 610,271 161,501 3.78 6 hrs 21 mins
GeForce GTX 1650 Ti Mobile Nvidia TU116M 596,247 162,864 3.66 7 hrs 33 mins
GeForce GTX 1650 SUPER Nvidia TU116 590,006 157,023 3.76 6 hrs 23 mins
Radeon R9 Fury X AMD Fiji XT 519,752 147,280 3.53 7 hrs 48 mins
GeForce GTX 1060 6GB Nvidia GP106 475,781 151,793 3.13 8 hrs 39 mins
Radeon RX 470/480/570/580/590 AMD Ellesmere XT 472,711 149,824 3.16 8 hrs 36 mins
P106-100 Nvidia GP106 470,676 149,389 3.15 8 hrs 37 mins
GeForce GTX 1650 Nvidia TU116 432,545 142,736 3.03 8 hrs 55 mins
GeForce GTX 460 v2 Nvidia GF114 401,752 121,514 3.31 7 hrs 16 mins
Radeon R9 200/300 Series AMD Hawaii 367,661 135,238 2.72 9 hrs 50 mins
GeForce GTX 1050 LP Nvidia GP107 299,984 129,160 2.32 10 hrs 20 mins
P106-090 Nvidia GP106 291,533 126,836 2.30 10 hrs 26 mins
GeForce GTX 1050 Ti Nvidia GP107 260,484 121,210 2.15 11 hrs 10 mins
Radeon R9 280/HD 7900/8950 AMD Tahiti PRO 258,011 117,090 2.20 11 hrs 53 mins
Quadro T1000 Mobile Nvidia TU117GLM 241,488 119,877 2.01 12 hrs 55 mins
Radeon RX Vega M XL AMD Vega 138,727 85,445 1.62 15 hrs 47 mins
Radeon HD 7800 AMD Pitcairn 132,594 98,324 1.35 18 hrs 48 mins
GeForce GTX 680 Nvidia GK104 106,839 91,532 1.17 21 hrs 34 mins
GeForce GT 1030 Nvidia GP108 104,768 90,414 1.16 21 hrs 43 mins
Radeon HD 7790 AMD Bonaire XT 103,002 90,366 1.14 21 hrs 3 mins
GeForce GTX 670MX Nvidia GK106 100,944 89,786 1.12 21 hrs 21 mins
GeForce GTX 960M Nvidia GM107 79,110 73,174 1.08 22 hrs 12 mins
GeForce GTX 550 Ti Nvidia GF116 16,596 43,900 0.38 63 hrs 29 mins
Radeon RX Vega gfx902 AMD raven 15,368 43,900 0.35 69 hrs 33 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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