PROJECT #14904 FOLDING AT HOME PPD DATABASE

FOLDING FOR: COVID-19

PPDDB data as of Thursday, 29 October 2020 20:47:53

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: 110,066

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 5,726,568 211,473 27.08 1 hrs 53 mins
TITAN RTX Nvidia TU102 4,502,896 195,412 23.04 1 hrs 2 mins
GeForce RTX 2080 Ti Rev. A Nvidia TU102 4,441,061 192,870 23.03 1 hrs 3 mins
GeForce RTX 3080 10GB / 20GB Nvidia GA102 4,407,265 190,215 23.17 1 hrs 2 mins
Tesla V100 SXM2 16GB Nvidia GV100GL 4,274,124 192,765 22.17 1 hrs 5 mins
GeForce RTX 3070 Nvidia GA104 3,085,555 172,587 17.88 1 hrs 21 mins
GeForce RTX 2080 Ti Nvidia TU102 2,784,233 165,854 16.79 1 hrs 26 mins
TITAN Xp Nvidia GP102 2,707,201 165,006 16.41 1 hrs 28 mins
GeForce RTX 2080 Super Nvidia TU104 2,667,429 163,272 16.34 1 hrs 28 mins
Quadro RTX 6000/8000 Nvidia TU102GL 2,432,934 159,077 15.29 2 hrs 34 mins
GeForce RTX 2070 SUPER Nvidia TU104 2,318,910 155,099 14.95 2 hrs 36 mins
GeForce RTX 2080 Nvidia TU104 2,241,673 153,750 14.58 2 hrs 39 mins
GeForce GTX 1080 Ti Nvidia GP102 2,020,992 148,391 13.62 2 hrs 46 mins
GeForce RTX 2080 SUPER Mobile / Max-Q Nvidia TU104M 1,920,449 147,123 13.05 2 hrs 50 mins
GeForce RTX 2070 Rev. A Nvidia TU106 1,845,823 143,083 12.90 2 hrs 52 mins
GeForce RTX 2060 KO Nvidia TU106-200A 1,839,623 145,037 12.68 2 hrs 54 mins
GeForce RTX 2060 Super Nvidia TU106 1,800,690 143,208 12.57 2 hrs 55 mins
Quadro RTX 4000 Nvidia TU104GL 1,568,694 137,741 11.39 2 hrs 6 mins
GeForce RTX 2060 Nvidia TU104 1,531,558 133,945 11.43 2 hrs 6 mins
GeForce RTX 2060 Mobile Nvidia TU106M 1,475,906 134,950 10.94 2 hrs 12 mins
GeForce RTX 2060 Nvidia TU106 1,424,406 132,701 10.73 2 hrs 14 mins
GeForce RTX 2070 Nvidia TU106 1,378,174 130,640 10.55 2 hrs 17 mins
GeForce GTX 1070 Ti Nvidia GP104 1,291,694 128,543 10.05 2 hrs 23 mins
Radeon VII AMD Vega 20 1,276,452 126,705 10.07 2 hrs 23 mins
GeForce GTX 1080 Nvidia GP104 1,252,827 126,206 9.93 2 hrs 25 mins
GeForce GTX 1660 SUPER Nvidia TU116 1,086,233 121,834 8.92 3 hrs 42 mins
GeForce GTX Titan X Nvidia GM200 997,972 118,419 8.43 3 hrs 51 mins
Radeon RX Vega 56/64 AMD Vega 10 XL/XT 938,699 114,875 8.17 3 hrs 56 mins
GeForce GTX 1070 Nvidia GP104 927,877 114,426 8.11 3 hrs 58 mins
Radeon RX 5600/5600 XT - 5700/5700 XT AMD Navi 10 880,723 111,841 7.87 3 hrs 3 mins
GeForce GTX 980 Ti Nvidia GM200 854,586 112,121 7.62 3 hrs 9 mins
GeForce RTX 2060 Mobile / Max-Q Nvidia TU106M 788,019 109,248 7.21 3 hrs 20 mins
GeForce GTX 1660 Nvidia TU116 699,915 105,008 6.67 4 hrs 36 mins
GeForce GTX 1060 6GB Nvidia GP106 617,697 97,571 6.33 4 hrs 47 mins
GeForce GTX 1060 3GB Nvidia GP106 598,999 99,824 6.00 4 hrs 60 mins
P104-100 Nvidia GP104 578,321 98,722 5.86 4 hrs 6 mins
GeForce GTX 1650 SUPER Nvidia TU116 576,246 98,290 5.86 4 hrs 6 mins
GeForce GTX 970 Nvidia GM204 564,598 96,614 5.84 4 hrs 6 mins
GeForce GTX 980 Nvidia GM204 559,424 87,943 6.36 4 hrs 46 mins
GeForce GTX 1650 Nvidia TU116 482,953 92,820 5.20 5 hrs 37 mins
Radeon R9 Fury X AMD Fiji XT 462,191 87,837 5.26 5 hrs 34 mins
Radeon RX 5500/5500M / Pro 5500M AMD Navi 14 444,181 90,480 4.91 5 hrs 53 mins
Radeon RX 470/480/570/580/590 AMD Ellesmere XT 414,252 87,879 4.71 5 hrs 5 mins
GeForce GTX 1650 Mobile / Max-Q Nvidia TU117M 409,087 88,541 4.62 5 hrs 12 mins
P106-100 Nvidia GP106 406,074 87,736 4.63 5 hrs 11 mins
P106-090 Nvidia GP106 398,983 79,424 5.02 5 hrs 47 mins
Radeon R9 200/300X Series AMD Hawaii 331,416 81,571 4.06 6 hrs 54 mins
GeForce GTX 1050 Ti Nvidia GP107 304,300 79,078 3.85 6 hrs 14 mins
Radeon R9 200/300 Series AMD Hawaii 259,837 72,406 3.59 7 hrs 41 mins
GeForce GTX 960 Nvidia GM206 258,417 75,440 3.43 7 hrs 0 mins
Radeon R9 280/HD 7900/8950 AMD Tahiti PRO 247,707 74,377 3.33 7 hrs 12 mins
Quadro T1000 Mobile Nvidia TU117GLM 231,515 72,744 3.18 8 hrs 32 mins
GeForce GTX 680 Nvidia GK104 210,640 70,700 2.98 8 hrs 3 mins
GeForce GTX 660 Ti Nvidia GK104 183,990 67,358 2.73 9 hrs 47 mins
GeForce GTX 750 Ti Nvidia GM107 136,821 60,953 2.24 11 hrs 42 mins
GeForce GTX 1050 LP Nvidia GP107 127,280 35,650 3.57 7 hrs 43 mins
Radeon HD 7800 AMD Pitcairn 123,194 58,606 2.10 11 hrs 25 mins
Radeon R9 200 Series AMD Hawaii 109,787 56,753 1.93 12 hrs 24 mins
GeForce GTX 670MX Nvidia GK106 107,432 56,249 1.91 13 hrs 34 mins
Radeon HD 7800 Series AMD Pitcairn PRO 98,286 54,717 1.80 13 hrs 22 mins
GeForce GTX 770 Nvidia GK104 93,457 53,759 1.74 14 hrs 48 mins
Radeon RX Vega M XL AMD Vega 68,640 36,809 1.86 13 hrs 52 mins
GeForce GTX 760 Nvidia GK104 68,444 48,415 1.41 17 hrs 59 mins
Quadro P400 Nvidia GP107GL 45,106 41,858 1.08 22 hrs 16 mins
GeForce GTX 560 Ti Nvidia GF114 32,573 37,888 0.86 28 hrs 55 mins
Radeon RX Vega gfx902 AMD raven 27,771 35,935 0.77 31 hrs 3 mins
GeForce GTX 550 Ti Nvidia GF116 16,491 28,872 0.57 42 hrs 1 mins
Radeon APU A4-6000 R2 AMD Mullins 2,147 21,200 0.10 237 hrs 59 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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