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World Community Grid Forums
Category: Completed Research
Forum: Help Fight Childhood Cancer Project Forum
Thread: How many virtual experiments in a workunit [resolved] |
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Thread Status: Active Total posts in this thread: 5
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Caucasian
Cruncher Joined: Aug 5, 2010 Post Count: 9 Status: Offline Project Badges: 
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Hello, folks.
----------------------------------------In the HFCC project description there are words: "This work consists of 9 million virtual chemistry experiment" And I am wondering: how many virtual experiments are encapsulated inside of an average work unit ? It is inspiring to know - how much work is done and how much work have to be done. [Edit 2 times, last edit by Caucasian at Sep 7, 2010 6:06:01 AM] |
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Sekerob
Ace Cruncher Joined: Jul 24, 2005 Post Count: 20043 Status: Offline |
Hi Caucasian,
----------------------------------------Do not know if there is a fixed number. In past we've seen with FAAH also running on AutoDock from just 1 to 32-36 per experiments/dockings attempts per task. You can count the checkpoints in the message log or use the BOINCTasks tool to count them for you each checkpoint represents a completed docking attempt which ends at a lowest energy point that meets a minimum. The more difficult it is to find that low minimum energy, the longer a docking takes, until the software decides to give up and move on to the next docking attempt. What we do know is that uplinger cuts the full HFCC simulation up in 2 tasks per compound, regardless of how hard they are so we observe quite variable run times. On my duo seen from 5 to 20+ hours. Let me run 1 now and later compare notes or a tech can give the absolute answer. Thanks for contributing your spare CPU time at WCG.
WCG
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Sekerob
Ace Cruncher Joined: Jul 24, 2005 Post Count: 20043 Status: Offline |
OK, so after 1.7 hours and 13.3% progress, the 6th checkpoint was logged, the 5th after ~11%, suggesting there are about 45 'loops' in a task, a compound test spread over 2 tasks making it some 90.
----------------------------------------See http://www.worldcommunitygrid.org/forums/wcg/...ad,29417_offset,20#287771 for some background info. Will edit in final number, if I'm there to see it. The job is likely to run 12 hours, maybe more. fao uplinger: Is there a fixed number of dockings in each task, the split being exactly even or does it vary. Makes it easy to monitor in BOINCtasks since said counts out the checkpoints. cheers.
WCG
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Caucasian
Cruncher Joined: Aug 5, 2010 Post Count: 9 Status: Offline Project Badges:
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Thank you, Sekerob
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Sekerob
Ace Cruncher Joined: Jul 24, 2005 Post Count: 20043 Status: Offline |
OK, 43 dockings were counted for this long job.
----------------------------------------LAPSED-01 World Community Grid 6.11 hfcc HFCC_n1_01203251_n1_0001_0 14:05:53 (13:09:53) 07-09-2010 05:24 07-09-2010 05:25 Reported: OK (u) A second one is running now and suspect it won't be much different. That one has a 0000_0 sub in the task name so this will likely be the first half of a pair for a compound.
WCG
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