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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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> |
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Aurum
Master Cruncher The Great Basin Joined: Dec 24, 2017 Post Count: 2387 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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. I'm missing your point. Here's my point:<name>Application_Name</name> <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. ![]() ![]() [Edit 1 times, last edit by Aurum420 at Jun 24, 2020 4:14:35 PM] |
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maeax
Advanced Cruncher Joined: May 2, 2007 Post Count: 142 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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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AMD Ryzen Threadripper PRO 3995WX 64-Cores/ AMD Radeon (TM) Pro W6600. OS Win11pro
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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) [Edit 1 times, last edit by Former Member at Jun 24, 2020 6:49:55 PM] |
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Falconet
Master Cruncher Portugal Joined: Mar 9, 2009 Post Count: 3295 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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 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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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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
Veteran Cruncher USA Joined: Jul 13, 2009 Post Count: 1066 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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. [Edit 2 times, last edit by Former Member at Jun 24, 2020 9:20:50 PM] |
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Jim1348
Veteran Cruncher USA Joined: Jul 13, 2009 Post Count: 1066 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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. |
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