PROJECT #17322 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

These projects involve the SARS-CoV-2 receptor binding domain (RBD) and its target receptor in humans, ACE2. We are simulating these proteins alone and in complex with each other (and with and without glycosylation). We will build Markov State Models using the Fah simulation data, which will help us identify the metastable states of each protein/protein complex. Given these experiments, we hope to be able to explain the impact of glycosylation on RBD conformational dynamics as well as identify whether there are shifts in metastable states upon RBD:ACE2 binding. Ultimately, the knowledge gained here will help infom drug design efforts.

Note: 17313-6 replace 17307-9, as 17307-9 used a different, less stable integrator.

PROJECT INFO

Manager(s): Ivy Zhang

Institution: Memorial Sloan Kettering Cancer Center

Project URL: http://www.choderalab.org/members/#ivy-zhang

PROJECT WORK UNIT SUMMARY

Atoms: 434,648

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Wednesday, 28 July 2021 15:34:03

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 6,691,388 354,404 18.88 1 hrs 16 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,222,056 323,916 16.12 1 hrs 29 mins
3 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,681,637 318,804 14.69 2 hrs 38 mins
4 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,495,887 315,470 14.25 2 hrs 41 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,203,768 307,411 13.67 2 hrs 45 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,043,093 303,199 13.33 2 hrs 48 mins
7 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,527,420 290,890 12.13 2 hrs 59 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,274,759 282,661 11.59 2 hrs 4 mins
9 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,882,148 269,946 10.68 2 hrs 15 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,782,321 268,488 10.36 2 hrs 19 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,704,454 265,111 10.20 2 hrs 21 mins
12 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,582,038 260,697 9.90 2 hrs 25 mins
13 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,579,865 259,819 9.93 2 hrs 25 mins
14 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,551,513 260,588 9.79 2 hrs 27 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,431,558 255,473 9.52 3 hrs 31 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,358,401 253,336 9.31 3 hrs 35 mins
17 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,232,917 242,790 9.20 3 hrs 37 mins
18 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,187,794 247,224 8.85 3 hrs 43 mins
19 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,157,292 245,123 8.80 3 hrs 44 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,014,520 237,714 8.47 3 hrs 50 mins
21 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,803,752 231,998 7.77 3 hrs 5 mins
22 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,764,330 230,702 7.65 3 hrs 8 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,577,993 218,606 7.22 3 hrs 19 mins
24 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,554,392 220,853 7.04 3 hrs 25 mins
25 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,343,715 210,528 6.38 4 hrs 46 mins
26 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,266,793 206,152 6.14 4 hrs 54 mins
27 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,258,650 202,428 6.22 4 hrs 52 mins
28 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,193,113 201,705 5.92 4 hrs 3 mins
29 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,159,533 200,526 5.78 4 hrs 9 mins
30 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,146,398 198,454 5.78 4 hrs 9 mins
31 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,131,196 194,972 5.80 4 hrs 8 mins
32 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,102,232 196,477 5.61 4 hrs 17 mins
33 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,083,244 195,719 5.53 4 hrs 20 mins
34 P104-100
GP104 [P104-100]
Nvidia GP104 910,554 185,185 4.92 5 hrs 53 mins
35 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 835,928 177,996 4.70 5 hrs 7 mins
36 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 779,454 156,292 4.99 5 hrs 49 mins
37 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 630,744 163,711 3.85 6 hrs 14 mins
38 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 629,514 160,805 3.91 6 hrs 8 mins
39 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 613,827 160,671 3.82 6 hrs 17 mins
40 P106-100
GP106 [P106-100]
Nvidia GP106 564,627 157,979 3.57 7 hrs 43 mins
41 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 561,462 145,224 3.87 6 hrs 12 mins
42 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 487,571 138,963 3.51 7 hrs 50 mins
43 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 468,537 148,385 3.16 8 hrs 36 mins
44 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 468,433 147,748 3.17 8 hrs 34 mins
45 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 451,376 145,805 3.10 8 hrs 45 mins
46 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 389,536 108,538 3.59 7 hrs 41 mins
47 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 368,637 136,961 2.69 9 hrs 55 mins
48 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 308,826 129,247 2.39 10 hrs 3 mins
49 P106-090
GP106 [P106-090]
Nvidia GP106 281,744 125,161 2.25 11 hrs 40 mins
50 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 273,510 123,650 2.21 11 hrs 51 mins
51 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 213,213 114,370 1.86 13 hrs 52 mins
52 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 198,516 92,252 2.15 11 hrs 9 mins
53 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 173,524 106,576 1.63 15 hrs 44 mins
54 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 156,463 101,773 1.54 16 hrs 37 mins
55 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 152,966 77,806 1.97 12 hrs 12 mins
56 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 69,552 78,449 0.89 27 hrs 4 mins
57 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 63,693 73,507 0.87 28 hrs 42 mins
58 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 53,210 72,421 0.73 33 hrs 40 mins
59 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 45,305 63,463 0.71 34 hrs 37 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 28 July 2021 15:34:03

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