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Former Member
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Re: OpenPandemics - Monthly Calls with Researchers

All the line code available suggests you control this with the versioning i.e. e.g. 7.17 would be CPU and 7.18 would be GPU.

<app_config>
[<app>
<name>Application_Name</name>
<max_concurrent>1</max_concurrent>
[<report_results_immediately/>]
[<fraction_done_exact/>]
<gpu_versions>
<gpu_usage>.5</gpu_usage>
<cpu_usage>.4</cpu_usage>
</gpu_versions>
</app>]
...
[<app_version>
<app_name>Application_Name</app_name>
[<plan_class>mt</plan_class>]
[<avg_ncpus>x</avg_ncpus>]
[<ngpus>x</ngpus>]
[<cmdline>--nthreads 7</cmdline>]
</app_version>]
...
[<project_max_concurrent>N</project_max_concurrent>]
[<report_results_immediately/>]
</app_config>

[Jun 24, 2020 3:57:53 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Aurum
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The Great Basin
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Re: OpenPandemics - Monthly Calls with Researchers

All the line code available suggests you control this with the versioning i.e. e.g. 7.17 would be CPU and 7.18 would be GPU.
<name>Application_Name</name>
I'm missing your point. Here's my point:
<name>OPN1</name>
and
<name>OPG1</name>
Also there's the server side control: https://www.worldcommunitygrid.org/ms/device/...iguration.do?name=Default
When GPUGrid tried to use the same Name for both their CPU project and their GPU project it made a real mess and reduced it to an either/or project. I hope to be able to run both OPN & OPG and have separate controls for each.
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...KRI please cancel all shadow-banning
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[Edit 1 times, last edit by Aurum420 at Jun 24, 2020 4:14:35 PM]
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maeax
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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.
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Former Member
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Re: OpenPandemics - Monthly Calls with Researchers

Hey WCGrid,

Where can we find the source code for OpenPandemics? We'd be delighted to help you get Autodock-GPU working.
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Former Member
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Re: OpenPandemics - Monthly Calls with Researchers

The code written by the researchers team has already been handed over to the WCG programmers for alpha testing, at least that is what the OP says of this thread ;o)

(WCG does not share source code BTW, but Scripps' AutoDock itself is open source)
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[Edit 1 times, last edit by Former Member at Jun 24, 2020 6:49:55 PM]
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Falconet
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Re: OpenPandemics - Monthly Calls with Researchers

I do have 1 question about the GPU application.

From the Github page:

"Besides the legacy Solis-Wets local search method, AutoDock-GPU adds newly implemented local-search methods based on gradients of the scoring function. One of these methods, ADADELTA, has proven to increase significantly the docking quality in terms of RMSDs and scores."

I'm assuming we've been running the "Solis-Wets" method. Which one are we going to use for the GPU app? If ADADELTA (or one of the other newly added methods), will we have to re-run all this work? I'm thinking no, well, actually pretty sure it's no, but still, I thought I'd ask.

Here's one I'm sure it's a no: make it a GPU only project so the CPU's that will be rendered inefficient by the GPU app can go crunch other non-GPU projects at WCG :D
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[Jun 24, 2020 6:49:54 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

Why posit it if you know the answer... would you tell "go take a hike" you Android / Linux Arm crunchers :?
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Jim1348
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Re: OpenPandemics - Monthly Calls with Researchers

Here's one I'm sure it's a no: make it a GPU only project so the CPU's that will be rendered inefficient by the GPU app can go crunch other non-GPU projects at WCG :D

I have wondered something similar. By analogy with FAH and FAH2, might the CPU be used to do an additional screening of the GPU results?

There is no point in duplicating efforts, when one is much more efficient than the other.
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Former Member
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Re: OpenPandemics - Monthly Calls with Researchers

It's a shame openPandemics isn't open source. If it was, it would support GPU by now.

I'm a little biased though. I built Quarantine@Home back in late Feb / early March. We started with the Linux GPU client (although never got around to supporting GPU in windows or osx. We're opensource though, and happy to take pull requests. All we really need is help compiling the GPU version in those other platforms : https://github.com/cjmielke/quarantineAtHome

If you are itching to put your GPU to use, and have linux, feel free to poke me if you want help. Our linux client is dependent on docker. Kinda wonky compared to the BOINC experience, but works, and we've got about 1 million docked poses now : https://quarantine.infino.me/job/861469/

Alternatively, install Folding@Home. They are actually taking all of the docked poses Quarantine@Home has found and performing much more rigorous free energy perturbation calculations to validate the possible hits.
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[Edit 2 times, last edit by Former Member at Jun 24, 2020 9:20:50 PM]
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Jim1348
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Re: OpenPandemics - Monthly Calls with Researchers

Alternatively, install Folding@Home. They are actually taking all of the docked poses Quarantine@Home has found and performing much more rigorous free energy perturbation calculations to validate the possible hits.

I was going to suggest that you look at the Moonshot project they are participating in for possible funding, but you are way ahead of me. Good luck.
[Jun 24, 2020 7:06:51 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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