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World Community Grid Forums
Category: Support
Forum: GPU Support Forum
Thread: Porting Autodock on OpenCl |
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Thread Status: Active Total posts in this thread: 14
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[VENETO] boboviz
Senior Cruncher Joined: Aug 17, 2008 Post Count: 184 Status: Offline Project Badges: 
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I know that some of WCG projects use Autodock.
These guys ported the software on OpenCl https://www.esa.informatik.tu-darmstadt.de/tw...w/Downloads/OCLADock.html |
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Falconet
Master Cruncher Portugal Joined: Mar 9, 2009 Post Count: 3315 Status: Offline Project Badges: 
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I don't know anything about the "Lamarckian Genetic Algorithm (LGA)" but currently projects use AutoDock VINA, which is different from Autodock 4.2.
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[VENETO] boboviz
Senior Cruncher Joined: Aug 17, 2008 Post Count: 184 Status: Offline Project Badges:
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I don't know anything about the "Lamarckian Genetic Algorithm (LGA)" but currently projects use AutoDock VINA, which is different from Autodock 4.2. The lastest Vina version is May 2011.... Maybe it's time update/change the platform :-) |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
I don't know anything about the "Lamarckian Genetic Algorithm (LGA)" but currently projects use AutoDock VINA, which is different from Autodock 4.2. The lastest Vina version is May 2011.... Maybe it's time update/change the platform :-) Tell that to the researchers. |
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KLiK
Master Cruncher Croatia Joined: Nov 13, 2006 Post Count: 3108 Status: Offline Project Badges: 
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I don't know anything about the "Lamarckian Genetic Algorithm (LGA)" but currently projects use AutoDock VINA, which is different from Autodock 4.2. The lastest Vina version is May 2011.... Maybe it's time update/change the platform :-) Tell that to the researchers. Maybe admin & tech can pass on the these new findings. |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
I don't know anything about the "Lamarckian Genetic Algorithm (LGA)" but currently projects use AutoDock VINA, which is different from Autodock 4.2. The lastest [sic] Vina version is May 2011.... Maybe it's time update/change the platform :-) VINA is like 100x faster than regular Autodock, thus the gain would be what? |
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[VENETO] boboviz
Senior Cruncher Joined: Aug 17, 2008 Post Count: 184 Status: Offline Project Badges:
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VINA is like 100x faster than regular Autodock, thus the gain would be what? 100x faster than Autodock on cpu. Not on gpu (that is not supported by vina). P.S. Vina, for example, doesn't support sse/avx extension on cpu. [Edit 1 times, last edit by [VENETO] boboviz at Aug 15, 2018 4:25:45 PM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
You missed the point by miles... if Autodock on GPU runs 100x faster than on CPU, but VINA is already 100 times faster on CPU than Autodock, what's the gain? From a science perspective, it seems to be the preferred choice over Autodock anyhow.
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BladeD
Ace Cruncher USA Joined: Nov 17, 2004 Post Count: 28976 Status: Offline Project Badges: 
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You missed the point by miles... if Autodock on GPU runs 100x faster than on CPU, but VINA is already 100 times faster on CPU than Autodock, what's the gain? From a science perspective, it seems to be the preferred choice over Autodock anyhow.  |
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[VENETO] boboviz
Senior Cruncher Joined: Aug 17, 2008 Post Count: 184 Status: Offline Project Badges:
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You missed the point by miles... No, i don't miss the point. First, vina is not supported anymore. Second, i think it's better to port vina to gpu (if it's possible to do it for autodock, like my link shows, it's possible for vina). Someone has tried it, like smina or gnina. Third, your rudeness is faster than vina. |
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