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caitilarkin
Former World Community Grid Admin
USA
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OpenPandemics - Monthly Calls with Researchers

We just finished our June call with the research team.

1. The researchers just started looking at the first batch of data that we sent them, and everything seems good.
2. They've been working hard on several grant applications, which have now all been sent in.
3. They're planning to create their own monthly volunteer updates in addition to this one. More info will come directly from them in the coming weeks.
4. The researchers have been working on a GPU version of AutoDock, and their initial testing has gone very well. WCG's tech team will now begin their own testing and will provide more information soon. No ETA yet--stay tuned!
5. They've been invited to write two academic papers related to the project--one specifically about OpenPandemics and one about AutoDock. We'll let everyone know once these are published.

Current status of work units:

Available for Download:  8,479 batches
In Progress:  1,941 batches (15,362,727 work units)
Completed:  1,973 batches total - 1,973 batches in the last 30 days - average of 65 batches per day
Estimated backlog: 130 days
[Jun 23, 2020 5:50:32 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: OpenPandemics - Monthly Calls with Researchers

"4. The researchers have been working on a GPU version of AutoDock, and their initial testing has gone very well. WCG's tech team will now begin their own testing and will provide more information soon. No ETA yet--stay tuned!"

Heard this kind of line before recently and then suddenly the next week you launched 2 apps on Android so will be tuned in for a meet and exceed expectations. So the message is, you're being challenged. 😁
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[Edit 1 times, last edit by Former Member at Jun 23, 2020 6:00:57 PM]
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Falconet
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Re: OpenPandemics - Monthly Calls with Researchers

Great news.

Thanks for the update.
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ThreadRipper
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Re: OpenPandemics - Monthly Calls with Researchers

Excellent news!
The update section, the GPU progress, the grants application!

Looking forward to the upcoming updates! Please let the researchers investigate and let us know which GPUs should fare better (higher output) and which will probably not - what parameters to look for to accelerate this research as much as possible.
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Falconet
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Re: OpenPandemics - Monthly Calls with Researchers

Excellent news!
The update section, the GPU progress, the grants application!

Looking forward to the upcoming updates! Please let the researchers investigate and let us know which GPUs should fare better (higher output) and which will probably not - what parameters to look for to accelerate this research as much as possible.



I'm sure we'll know all that in due time although they do mention that the CUDA version is faster than OpenCL.
https://github.com/ccsb-scripps/AutoDock-GPU

"Observed speedups of up to 4x (quad-core CPU) and 56x (GPU) over the original serial AutoDock 4.2 (Solis-Wets) on CPU. The Cuda version is currently even faster than the OpenCL version."
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- AMD Ryzen 5 1600AF 6C/12T 3.2 GHz - 85W
- AMD Ryzen 5 2500U 4C/8T 2.0 GHz - 28W
- AMD Ryzen 7 7730U 8C/16T 3.0 GHz
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[CSF] Thomas H.V. DUPONT
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Re: OpenPandemics - Monthly Calls with Researchers

Great news.

Thanks for the update.

+100
More than great news for the GPU application! Finally!
Thanks Caitlin for creating this new thread!
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TheBizii
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Re: OpenPandemics - Monthly Calls with Researchers

Thanks for the update! :)
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Rickjb
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Re: OpenPandemics - Monthly Calls with Researchers

Good work, researchers and caitilarkin.
Please keep the updates coming. Crunching numbers is about as exciting as watching grass grow, so we really appreciate some news when it's available.
It would be interesting to know which viral proteins are being targeted, for example.

A suggestion for the researchers: Since finding antiviral drugs against CoVid-19 is rather urgent, and antivirals for other viruses are already being clinically tried against it, I would suggest prioritising the modelling of such compounds by OpenPandemics. That would provide some early calibration of our results against reality.

If we also prioritise other approved drugs that have not yet been tried clinically against CoVid-19, our results might provide valuable guidance as to which ones to try next. A big advantage of modelling approved drugs is that their safety profiles are already known, and if they were predicted to be useful against CoVid-19, they would already be further down the path of clinical trials and possible deployment.
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ThreadRipper
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Re: OpenPandemics - Monthly Calls with Researchers

Excellent news!
The update section, the GPU progress, the grants application!

Looking forward to the upcoming updates! Please let the researchers investigate and let us know which GPUs should fare better (higher output) and which will probably not - what parameters to look for to accelerate this research as much as possible.



I'm sure we'll know all that in due time although they do mention that the CUDA version is faster than OpenCL.
https://github.com/ccsb-scripps/AutoDock-GPU

"Observed speedups of up to 4x (quad-core CPU) and 56x (GPU) over the original serial AutoDock 4.2 (Solis-Wets) on CPU. The Cuda version is currently even faster than the OpenCL version."


Great info, thanks for the link! wink
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AMD TR2990WX @ PBO, 64GB Quad 3200MHz 14-17-17-17-1T, RX6900XT @ Stock
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AMD 2700X @ 4GHz
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Aurum
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The Great Basin
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Re: OpenPandemics - Monthly Calls with Researchers

Will the OpenPandemics GPU Project have its own name (e.g. OPG1 & OPN1) so the control for CPU and GPU do not conflict???
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...KRI please cancel all shadow-banning
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