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Aurum
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Re: September 2020 Update: Fight AIDS@Home article is relevant to OpenPandemics

Isn't that call made by the research team?
Keith Uplinger is the only one I recall ever saying anything about it. I don't recall any reference to Forli Lab or any comments from Forli. Do you? Since they've gone into radio silence no one knows what their current thinking is.
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Aurum
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Re: September 2020 Update: Fight AIDS@Home article is relevant to OpenPandemics

I know of several projects that use both CPUs and GPUs on the same OpenCl work units. At the moment, Einstein does on the gravity wave work units, and MilkyWay is planning to do so shortly on the N-body work. In the past, there was also POEM.
GPUGrid did it and it was a disaster.
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Jim1348
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Re: September 2020 Update: Fight AIDS@Home article is relevant to OpenPandemics

GPUGrid did it and it was a disaster.

No, GPUGrid is CUDA only, and has never used OpenCl on the GPUs. They had a Quantum Chemistry project for the CPUs, but that was entirely separate from the GPU work (and not OpenCl anyway).
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Rickjb
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Re: September 2020 Update: Fight AIDS@Home article is relevant to OpenPandemics

Aurun420 said: "And yet IBM wants to shove all OPN WUs down the same pipe so how will that be possible???"
When HCC ran on GPUs, it was run on CPUs at the same time, drawing WUs from the same pool.
The techs had to get the software to run so that the results from a WU would be the same, independent of whether it had run on a GPU or CPU. The definition of "the same" may have needed to be relaxed just a little because some GPUs may handle roundoff of the least significant bit of calculated values differently to the method used by the FPUs in standard CPUs, and the GPUs may have been using "single"-precision FP (32-bit) vs "double"-precision (64-bit) on the CPUs.

It's not just the false positives from inaccurate simulations that are a problem. The positives can be further filtered to weed out the false ones, but the false negatives may be missed completely.

[Edit]: Forgot to remind people that VINA and BEDAM, as deployed so far, do not have the covalent bonding protocol that has been added to AutoDock for OPN, so unless they are updated they will not be useful to filter any of the AutoDock positives that might bond covalently. [/Edit]
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Aurum
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Re: September 2020 Update: Fight AIDS@Home article is relevant to OpenPandemics

GPUGrid did it and it was a disaster.

No, GPUGrid is CUDA only, and has never used OpenCl on the GPUs. They had a Quantum Chemistry project for the CPUs, but that was entirely separate from the GPU work (and not OpenCl anyway).
I guess you weren't there.
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