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Thread Status: Active Total posts in this thread: 23
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hello!
I have updated the status website, so there are updated completion percentages and experiment listings. Some time ago, I split the staus page so that scrolling is more tolerable. Just to throw out a few numbers: - Some rough calculations estimate that all AD Vina work on WCG (if all dockings were finished now) make up more than 95+% of all FAAH dockings. - In the last two weeks, we have been receiving approximately 300 (Vina) batches a day, which equates to approximately 3 million dockings per day. (This may fluctuate, of course, but within the last 2 weeks definitely impressive.) Thank you, Crunchers! Dan |
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Seoulpowergrid
Veteran Cruncher Joined: Apr 12, 2013 Post Count: 823 Status: Offline Project Badges:
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Hello Dan,
----------------------------------------Thanks for the update! I love seeing the progress so I very much appreciate the status page getting love. ![]() [Edit 1 times, last edit by Seoulpowergrid at Mar 20, 2014 4:47:50 AM] |
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Falconet
Master Cruncher Portugal Joined: Mar 9, 2009 Post Count: 3315 Status: Offline Project Badges:
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Thanks for the update!
----------------------------------------![]() - 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 |
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[CSF] Thomas Dupont
Veteran Cruncher Joined: Aug 25, 2013 Post Count: 685 Status: Offline |
Thanks for the heads-up Dan !
----------------------------------------Good job ![]() Keep crunching & fighting ! |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hi Dan,
Thanks for the update.. Some of the older Experiments like 75 to 79 have 0% completion. is there a problem? or just not updated in the reports.. keep up the grat work , We're Cruncing' |
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[SG-FC]Hammerburg
Senior Cruncher Joined: Apr 26, 2007 Post Count: 251 Status: Offline Project Badges:
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Many Thanks for the Update!
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hello Safak,
A good question. I have been streamlining the workflow on incoming files (both Vina and AutoDock) since the throughput from Vina has been astronomical. Some files have been in a limbo-like/slow-processing status because of this, but hopefully, I will be able to get to them soon. By limbo-like, I mostly mean that my what-has-been-completed scripts don't access some files due to multiple workflows. I'll see what I can dig up by the end of this week concerning some of these past experiments with little to no completion. Thanks for asking, Dan |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hello Safak, A good question. I have been streamlining the workflow on incoming files (both Vina and AutoDock) since the throughput from Vina has been astronomical. Some files have been in a limbo-like/slow-processing status because of this, but hopefully, I will be able to get to them soon. By limbo-like, I mostly mean that my what-has-been-completed scripts don't access some files due to multiple workflows. I'll see what I can dig up by the end of this week concerning some of these past experiments with little to no completion. Thanks for asking, Dan Hi Dan, any progress so far? thanks for your immediate Reply by the way... |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hello Safak and Other Interested Crunchers,
----------------------------------------I do appreciate everyone's patience. The good news is that I have found 3.5 TB of data. (It was never lost, of course, just patiently residing in a few directories). The not-so-good news is that I have more than 3.5 TB of data. This fact alone has de-prioritized updating the status page. The great news is that we have just incorporated our own cluster to help process the extreme-throughout* from WCG, and since last Friday (just 5 days ago), I have processed almost 40,000 Vina batches.There will be a more official update in May, and I foresee some breathing room in the next week or so when I will be able to update the status page. The amazing BOTTOM LINE: our rate of processing of the incoming files is now comparable (close to if not slightly faster) to the rate of incoming files from Crunchers! Please keep in mind that there are still other processes to be done to our data, and I'll discuss more in the (soon) official update.Thanks, Dan *phrase coined** by colleague, Dr. Stefano Forli **I Googled "extreme-throughout" and found no such phrase [Edit 1 times, last edit by Former Member at Apr 16, 2014 2:33:08 PM] |
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