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Re: OpenPandemics - Monthly Calls with Researchers

I've got immense respect for the COVID Moonshot folks. At the same time, I am immensely jealous of their abilities :p

I'm a total amateur in the computational chemistry space, and those "matter-hackers" are practicing pure black magic!
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Jim1348
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Re: OpenPandemics - Monthly Calls with Researchers

As an "amateur", assuming you are in the U.S., the best thing to do is contact you local Congressman. If they sense some possible favorable publicity to themselves, they can work wonders.
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Falconet
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Re: OpenPandemics - Monthly Calls with Researchers

Why posit it if you know the answer... would you tell "go take a hike" you Android / Linux Arm crunchers :?



I'm not 100% sure on ADADELTA. I really doubt they'll re-run work but I'd like to know more because they say that the ADADELTA method is significantly better. As for the CPU part, it was mostly a "joke". I know WCG won't cut-off CPU-only volunteers from participating on a project. They wouldn't have even bothered with Android in the first place.

Jim1438,

Who knows. Like you said, FAH and FAH2 did that. Maybe they'll run a new software eventually for certain compounds/targets. But maybe thanks to ADADELTA, that won't even be necessary. I've long wished projects that offer GPU apps stopped offering CPU apps so those CPU's can be used on other projects. But I fully understand why that doesn't happen.

subcosmos,

Hello, we've talked once before on Twitter. Very cool that they are using your results from Quarantine@home on Folding@home. Like I said then, I hope your job situation improves.
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[Edit 4 times, last edit by Falconet at Jun 24, 2020 7:50:09 PM]
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cjslman
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Re: OpenPandemics - Monthly Calls with Researchers

We just finished our June call with the research team.
Great news, thanks for the update !!!

CJSL
Crunch, crunch, crunch....
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uplinger
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Re: OpenPandemics - Monthly Calls with Researchers

There are some fun thoughts about GPU coming from the simple statement. :) We are VERY early (we just got a look at the code yesterday) in the GPU version of AutoDock for OpenPandemics. How the project will work on the grid will depend on what we see when we perform a beta. Since the last time we ran a GPU project on WCG, our systems and databases have been greatly improved upon. This means, we are going to explore every option as to the best way of distributing the work. If it means a separate project with different batches, then that will be the case. But with our backend being stronger, we may be able to just send the same work units and not have two different paths. We are excited on our end as well for a GPU project, but steps to get us there need to happen first on the backend and with an alpha/beta test. When we get to beta, we would love for everyone to help and give us a great idea on the path for production, but that is again in the future. When we get closer, we will post, but for right now, it's way too early.

Thanks,
-Uplinger
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BladeD
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Re: OpenPandemics - Monthly Calls with Researchers

Nice thoughts on the GPU part of the project!
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Falconet
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Re: OpenPandemics - Monthly Calls with Researchers

Good luck, uplinger and team.
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Aurum
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Re: OpenPandemics - Monthly Calls with Researchers

In Device manager you can set a device profile (school, work...) to use only GPU tasks and set this profile for a Device to use GPU only.
That does not address what I'm talking about.
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...KRI please cancel all shadow-banning
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Aurum
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Re: OpenPandemics - Monthly Calls with Researchers

...I'd like to know more because they say that the ADADELTA method is significantly better.
This looks very interesting:
https://ruder.io/optimizing-gradient-descent/
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Aurum
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Re: OpenPandemics - Monthly Calls with Researchers

Since the last time we ran a GPU project on WCG, our systems and databases have been greatly improved upon. This means, we are going to explore every option as to the best way of distributing the work. If it means a separate project with different batches, then that will be the case. But with our backend being stronger, we may be able to just send the same work units and not have two different paths.

It's never too early to plan for success.
It's not about whether you can do something it's whether you should do it.
If you hamstring the clients by giving us only one way to control both a CPU WU and a GPU WU then we'll be forced to pick one or the other. It's likely that the GPU version will run five times or more faster than the CPU version. The alternative is that over 80% of CPU WUs will be aborted in order to maintain the GPU work flow. If IBM does not think about this from the beginning how can you possibly produce an efficient work flow? Just because your servers can throw down a flood of WUs does not mean our computers can deal with them.
It's also very likely that when Scripps get a GPU project fielded they'll redirect the CPU project to serve a different purpose. Some mathematical techniques and approaches may be better served by a CPU than a GPU.
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