Index  | Recent Threads  | Unanswered Threads  | Who's Active  | Guidelines  | Search
 

Quick Go »
No member browsing this thread
Thread Status: Active
Total posts in this thread: 23
Posts: 23   Pages: 3   [ 1 2 3 | Next Page ]
[ Jump to Last Post ]
Post new Thread
Author
Previous Thread This topic has been viewed 5949 times and has 22 replies Next Thread
Former Member
Cruncher
Joined: May 22, 2018
Post Count: 0
Status: Offline
Reply to this Post  Reply with Quote 
Project Update, March 19, 2014

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
[Mar 20, 2014 1:46:02 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Seoulpowergrid
Veteran Cruncher
Joined: Apr 12, 2013
Post Count: 823
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: Project Update, March 19, 2014

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]
[Mar 20, 2014 4:22:48 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Falconet
Master Cruncher
Portugal
Joined: Mar 9, 2009
Post Count: 3315
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: Project Update, March 19, 2014

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
[Mar 20, 2014 2:53:17 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
Cruncher
Joined: May 22, 2018
Post Count: 0
Status: Offline
Reply to this Post  Reply with Quote 
Re: Project Update, March 19, 2014

tongue
[Mar 20, 2014 8:09:32 PM]   Link   Report threatening or abusive post: please login first  Go to top 
[CSF] Thomas Dupont
Veteran Cruncher
Joined: Aug 25, 2013
Post Count: 685
Status: Offline
Reply to this Post  Reply with Quote 
Re: Project Update, March 19, 2014

Thanks for the heads-up Dan !
Good job biggrin
Keep crunching & fighting !
----------------------------------------
[Mar 21, 2014 7:14:12 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
Cruncher
Joined: May 22, 2018
Post Count: 0
Status: Offline
Reply to this Post  Reply with Quote 
Re: Project Update, March 19, 2014

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'
[Mar 27, 2014 7:04:25 AM]   Link   Report threatening or abusive post: please login first  Go to top 
[SG-FC]Hammerburg
Senior Cruncher
Joined: Apr 26, 2007
Post Count: 251
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: Project Update, March 19, 2014

Many Thanks for the Update!
----------------------------------------

[Mar 27, 2014 8:41:42 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
Cruncher
Joined: May 22, 2018
Post Count: 0
Status: Offline
Reply to this Post  Reply with Quote 
Re: Project Update, March 19, 2014

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
[Mar 27, 2014 3:47:54 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
Cruncher
Joined: May 22, 2018
Post Count: 0
Status: Offline
Reply to this Post  Reply with Quote 
Re: Project Update, March 19, 2014

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...
[Apr 16, 2014 10:40:00 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
Cruncher
Joined: May 22, 2018
Post Count: 0
Status: Offline
Reply to this Post  Reply with Quote 
Re: Project Update, March 19, 2014

Hello Safak and Other Interested Crunchers,

I do appreciate everyone's patience.

smile 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).

crying 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.

laughing 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.

cool 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]
[Apr 16, 2014 2:28:53 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Posts: 23   Pages: 3   [ 1 2 3 | Next Page ]
[ Jump to Last Post ]
Post new Thread