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Former Member
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now really short WU's

Ok.. so I'm getting a whole herd of these:

faah4260_ 45621_ Frag2a_ MIN_ xmd07290_ 00_ 1--
faah4261_ 45621_ Frag3_ 1CF3_ 2OH_ MIN_ xmd07020_ 01_ 1--


WU's that are all completing in under 2 hrs.

When I get them Initially; they indicate some 3.5 hrs to compute, but I'm seeing them knocked out in about 1.70 - 1.78 hrs...

Seems like now we are going the other way! Oh well..... at least others with slower systems should have the CPU time out wink
[Aug 4, 2008 5:30:51 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: now really short WU's

Yes, I also noticed that. I looked at the molecule being docked and it looked rather large and complex and that it was being docked at the exo site. I guess that since it is a large and complex molecule the number of ways it can be docked is much less than smaller molecules so that might be why these work units run much faster.
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[Edit 1 times, last edit by Former Member at Aug 5, 2008 2:27:59 AM]
[Aug 5, 2008 2:26:43 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Sekerob
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Re: now really short WU's

Experiment 22: 0% Completed

This Relaxed Complex experiment is very similar to Experiment 21, but this time 1/3 of the "DTP" library is being docked against the potential allosteric inhibitor site on the peripheral surface of HIV protease (i.e., the "exo" site), instead of docking them against the active site. These compounds are also being docked against the same "QR-selected" subset of conformations from the V82F/I84V multi-drug-resistant mutant of HIV protease. For a description of the QR method and a few citations, see the description of Experiment 21.

Experiment 22 involves faah4417-4622.


experiment 22 v 19 and here a short tally of recent work to get an idea of change over the previous 'regular', a good hour shorter. Experiment 21 is covered by 3 batch ranges now. http://fightaidsathome.scripps.edu/status

faah4259_ 45621_ Frag1_ MIN_ xmd14380_ 00_ 1-- 628290 Valid 08/04/2008 03:15:32 08/05/2008 03:21:31 3.65 56.2 / 62.1
faah4259_ 45621_ Frag1_ MIN_ xmd05490_ 01_ 0-- 628290 Valid 08/04/2008 03:15:32 08/05/2008 02:36:12 3.65 56.2 / 53.5
faah4259_ 45621_ Frag1_ MIN_ xmd12330_ 01_ 1-- 628290 Pending Validation 08/04/2008 03:15:32 08/05/2008 02:13:45 3.64 56.1 / 0.0
faah4259_ 45621_ Frag1_ MIN_ xmd09840_ 02_ 1-- 628290 Valid 08/04/2008 03:15:32 08/05/2008 02:04:45 3.71 57.2 / 53.7
faah4194_ TL3_ MIN3_ xmd10870_ 09_ 0-- 628290 Valid 08/02/2008 20:02:34 08/04/2008 23:25:17 4.88 75.1 / 74.3
faah4259_ 45621_ Frag1_ MIN_ xmd09820_ 02_ 1-- 628290 Pending Validation 08/04/2008 03:15:32 08/04/2008 22:38:01 3.70 57.0 / 0.0
faah4194_ TL3_ MIN3_ xmd12020_ 01_ 1-- 628290 Valid 08/02/2008 20:01:17 08/04/2008 22:19:35 4.94 76.0 / 71.4
faah4194_ TL3_ MIN3_ xmd06000_ 09_ 0-- 628290 Valid 08/02/2008 20:01:17 08/04/2008 22:05:30 4.98 76.7 / 85.7
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[Edit 1 times, last edit by Sekerob at Aug 5, 2008 6:40:09 AM]
[Aug 5, 2008 4:29:30 AM]   Link   Report threatening or abusive post: please login first  Go to top 
knreed
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Re: now really short WU's

The load on our servers is related directly to the number of results per unit time. We have played it quite conservative over the past two months with the UD transition to make sure that we didn't overload the servers. Now that the transition is complete we can go ahead and shorten the duration of some of the projects.

As a result we have reduced HPF2 from around 12 hours down to around 8 hours and FightAIDS@Home is being reduced from around 8 to around 6.
[Aug 5, 2008 2:34:55 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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