PROJECT #17316 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: 200,474

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 18 January 2021 20:27:14

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 6,493,259 342,331 18.97 1 hrs 16 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,986,440 312,645 15.95 2 hrs 30 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,593,519 308,001 14.91 2 hrs 37 mins
4 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,276,312 306,114 13.97 2 hrs 43 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,256,301 299,283 14.22 2 hrs 41 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,908,337 290,800 13.44 2 hrs 47 mins
7 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,319,791 275,197 12.06 2 hrs 59 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,148,468 269,361 11.69 2 hrs 3 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,874,162 263,546 10.91 2 hrs 12 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,765,267 259,691 10.65 2 hrs 15 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,728,265 257,392 10.60 2 hrs 16 mins
12 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,642,947 254,341 10.39 2 hrs 19 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,419,831 247,528 9.78 2 hrs 27 mins
14 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,354,004 246,286 9.56 3 hrs 31 mins
15 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,330,434 227,245 10.26 2 hrs 20 mins
16 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,239,194 240,664 9.30 3 hrs 35 mins
17 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,175,915 237,234 9.17 3 hrs 37 mins
18 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER]
Nvidia TU104 2,148,526 238,635 9.00 3 hrs 40 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,133,913 237,288 8.99 3 hrs 40 mins
20 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,097,898 237,663 8.83 3 hrs 43 mins
21 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,939,918 229,350 8.46 3 hrs 50 mins
22 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,671,608 220,038 7.60 3 hrs 10 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,568,831 214,509 7.31 3 hrs 17 mins
24 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,521,063 212,207 7.17 3 hrs 21 mins
25 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,394,837 206,961 6.74 4 hrs 34 mins
26 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,358,216 205,064 6.62 4 hrs 37 mins
27 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,252,857 194,460 6.44 4 hrs 44 mins
28 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,227,223 198,842 6.17 4 hrs 53 mins
29 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,208,891 195,947 6.17 4 hrs 53 mins
30 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,118,868 190,954 5.86 4 hrs 6 mins
31 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,084,943 190,244 5.70 4 hrs 13 mins
32 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,074,205 189,086 5.68 4 hrs 13 mins
33 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,064,880 188,650 5.64 4 hrs 15 mins
34 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,056,372 185,472 5.70 4 hrs 13 mins
35 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 909,571 179,622 5.06 5 hrs 44 mins
36 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 797,098 171,652 4.64 5 hrs 10 mins
37 P104-100
GP104 [P104-100]
Nvidia GP104 763,208 169,525 4.50 5 hrs 20 mins
38 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 721,569 153,179 4.71 5 hrs 6 mins
39 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 652,489 159,393 4.09 6 hrs 52 mins
40 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 617,982 157,724 3.92 6 hrs 8 mins
41 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 550,669 150,737 3.65 7 hrs 34 mins
42 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 504,821 146,570 3.44 7 hrs 58 mins
43 P106-100
GP106 [P106-100]
Nvidia GP106 504,548 147,661 3.42 7 hrs 1 mins
44 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 436,690 140,385 3.11 8 hrs 43 mins
45 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 431,053 140,346 3.07 8 hrs 49 mins
46 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 430,298 139,624 3.08 8 hrs 47 mins
47 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 330,609 128,427 2.57 9 hrs 19 mins
48 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 285,180 121,749 2.34 10 hrs 15 mins
49 P106-090
GP106 [P106-090]
Nvidia GP106 265,508 119,104 2.23 11 hrs 46 mins
50 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 234,512 112,304 2.09 11 hrs 30 mins
51 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 204,072 109,066 1.87 13 hrs 50 mins
52 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 174,056 103,551 1.68 14 hrs 17 mins
53 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 163,878 85,314 1.92 12 hrs 30 mins
54 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 98,739 73,712 1.34 18 hrs 55 mins
55 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 73,319 76,713 0.96 25 hrs 7 mins
56 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 72,653 77,391 0.94 26 hrs 34 mins
57 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 51,497 69,021 0.75 32 hrs 10 mins
58 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 31,541 58,251 0.54 44 hrs 19 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 18 January 2021 20:27:14

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

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