PROJECT #17326 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: 143,492

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Sunday, 28 February 2021 13:06:04

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 5,955,125 233,515 25.50 1 hrs 56 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,414,374 226,687 23.88 1 hrs 0 mins
3 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,359,226 211,633 20.60 1 hrs 10 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,304,340 210,669 20.43 1 hrs 10 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,637,245 199,696 18.21 1 hrs 19 mins
6 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,305,412 191,285 17.28 1 hrs 23 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,217,504 190,675 16.87 1 hrs 25 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,962,492 188,220 15.74 2 hrs 31 mins
9 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,716,641 180,688 15.03 2 hrs 36 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,559,747 177,758 14.40 2 hrs 40 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,517,072 175,725 14.32 2 hrs 41 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,386,772 173,534 13.75 2 hrs 45 mins
13 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,353,620 171,821 13.70 2 hrs 45 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,159,490 165,685 13.03 2 hrs 50 mins
15 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,144,342 163,804 13.09 2 hrs 50 mins
16 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,993,663 162,936 12.24 2 hrs 58 mins
17 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,665,079 153,849 10.82 2 hrs 13 mins
18 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,649,940 153,237 10.77 2 hrs 14 mins
19 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,613,928 152,560 10.58 2 hrs 16 mins
20 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,360,851 143,905 9.46 3 hrs 32 mins
21 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,352,444 142,685 9.48 3 hrs 32 mins
22 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,283,763 141,325 9.08 3 hrs 39 mins
23 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,281,568 138,216 9.27 3 hrs 35 mins
24 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,197,351 136,053 8.80 3 hrs 44 mins
25 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,154,271 134,303 8.59 3 hrs 48 mins
26 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,124,385 135,074 8.32 3 hrs 53 mins
27 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,117,841 134,059 8.34 3 hrs 53 mins
28 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,101,757 133,845 8.23 3 hrs 55 mins
29 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,028,561 130,039 7.91 3 hrs 2 mins
30 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 665,267 108,536 6.13 4 hrs 55 mins
31 P104-100
GP104 [P104-100]
Nvidia GP104 653,195 113,065 5.78 4 hrs 9 mins
32 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 648,657 111,910 5.80 4 hrs 8 mins
33 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 627,030 111,436 5.63 4 hrs 16 mins
34 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 619,305 110,822 5.59 4 hrs 18 mins
35 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 587,105 108,835 5.39 4 hrs 27 mins
36 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 585,104 100,998 5.79 4 hrs 9 mins
37 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 576,244 108,713 5.30 5 hrs 32 mins
38 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 570,217 106,880 5.34 4 hrs 30 mins
39 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 456,228 100,309 4.55 5 hrs 17 mins
40 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 437,326 98,425 4.44 5 hrs 24 mins
41 P106-100
GP106 [P106-100]
Nvidia GP106 434,341 98,632 4.40 5 hrs 27 mins
42 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 431,169 97,907 4.40 5 hrs 27 mins
43 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 396,965 91,568 4.34 6 hrs 32 mins
44 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 321,476 89,131 3.61 7 hrs 39 mins
45 P106-090
GP106 [P106-090]
Nvidia GP106 271,174 84,183 3.22 7 hrs 27 mins
46 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 220,846 75,026 2.94 8 hrs 9 mins
47 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 175,420 72,598 2.42 10 hrs 56 mins
48 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 167,370 61,065 2.74 9 hrs 45 mins
49 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 77,773 54,388 1.43 17 hrs 47 mins
50 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 54,633 49,344 1.11 22 hrs 41 mins
51 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 37,186 39,713 0.94 26 hrs 38 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 28 February 2021 13:06:04

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

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