| Index | Recent Threads | Unanswered Threads | Who's Active | Guidelines | Search |
 |
World Community Grid Forums
Category: Support
Forum: GPU Support Forum
Thread: Porting Autodock on OpenCl |
| No member browsing this thread |
|
Thread Status: Active Total posts in this thread: 14
|
|
| Author |
|
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
LoL, 'your rudeness'
What part did you not comprehend... VINA is the choice program at WCG, used by multiple sciences at WCG, but don't let me stop you to start coding and make the GPU version producing 100% matching results to the CPU version. Anyway, your topic, Autodock GPU porting will hardly outperform VINA on CPU... a waste of time.  |
||
|
|
Falconet
Master Cruncher Portugal Joined: Mar 9, 2009 Post Count: 3295 Status: Offline Project Badges: 
|
Just because Vina isn't being updated doesn't mean it doesn't work properly.. If it works as it should, there is no need for updates from the developers (although it would be good to have AVX, FMA, etc applications).
----------------------------------------It would be good have GPU versions of all projects - but IIRC the Autodock and Autodock Vina softwares weren't suitable for GPU - or should I say, the techniques/algorithms used in WCG weren't suitable for GPU processing. The Vina GPU software you linked to seems to be 1 single algorithm/technique of the docking process and it may not be the one used by the projects at WCG (for science reasons). 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 [Edit 1 times, last edit by Falconet at Aug 16, 2018 1:54:52 PM] |
||
|
|
Viktors
Former World Community Grid Tech Joined: Sep 20, 2004 Post Count: 653 Status: Offline Project Badges:
|
Even though AutoDock VINA and AutoDock do similar things, they are in fact different. Certain kinds of molecules are handled better by one than the other. In fact, researchers are looking at new novel ways to use the older AutoDock. We will see if any of these turn into viable projects. Porting to GPU is not always as productive as one may like. If only a portion of the algorithms can be ported to GPU, the rest still run much slower and the overall speed-up may not be that great. Having said that, the researchers are investigating to see if there are ways to really boost the speed using GPU, perhaps by even changing the algorithms. We will have to be patient and see.
|
||
|
|
Coleslaw
Veteran Cruncher USA Joined: Mar 29, 2007 Post Count: 1343 Status: Offline Project Badges: 
|
Also, keep in mind that none of the volunteers have the luxury of just picking up the code and trying to assist. None of the researchers application code is open source as far as I am aware. So, unless the researchers open it up and say have at it along with WCG wanting to deal with the headaches that come with customized applications that would certainly try to follow, jabs like that aren't really helpful to the discussion.
----------------------------------------    |
||
|
|
|