New GPUGrid Project: MDAD

A range of Biological/Medical Science projects that need our help, such as: Rosetta, Ralph, POEM, RNA, SIMAP, The Lattice Project, Xansons.
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chriscambridge
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New GPUGrid Project: MDAD

Post by chriscambridge » Sat Jan 25, 2020 1:42 pm

We are starting a new large-scale experiment. There will be plenty of workunits, whose very first batch is currently being sent. Run times should be around 6h but with a lot of variability. They are very heterogeneous so please don't worry for failures.
https://www.gpugrid.net/forum_thread.php?id=5045#53462
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Damien Healy
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Re: New GPUGrid Project: MDAD

Post by Damien Healy » Sat Jan 25, 2020 2:23 pm

Excellent. They’ve been out of work for quite a while

chriscambridge
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Re: New GPUGrid Project: MDAD

Post by chriscambridge » Sat Jan 25, 2020 2:55 pm

From what I can see so far, an "average" task is taking around 2.5 hours on my 1080Ti's.
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Re: New GPUGrid Project: MDAD

Post by Damien Healy » Sun Jan 26, 2020 4:45 pm

GPUGrid work seems to have dried up again!

chriscambridge
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Re: New GPUGrid Project: MDAD

Post by chriscambridge » Sun Jan 26, 2020 9:00 pm

Zoltan mentioned:
I think it was just the warm-up. Every batch of Toni queued yesterday consisted only a single step, it's no wonder that they didn't last longer.
https://www.gpugrid.net/forum_thread.php?id=5045#53509
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chriscambridge
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Re: New GPUGrid Project: MDAD

Post by chriscambridge » Tue Jan 28, 2020 3:03 pm

GPUGrid tasks are back on the menu...
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Damien Healy
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Re: New GPUGrid Project: MDAD

Post by Damien Healy » Tue Jan 28, 2020 6:00 pm

chriscambridge wrote:
Tue Jan 28, 2020 3:03 pm
GPUGrid tasks are back on the menu...
I just noticed that! Looks like my machines have automatically picked up those tasks and parked PrimeGrid, so that worked ...

QuChemPedIA is still dormant though.

chriscambridge
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Re: New GPUGrid Project: MDAD

Post by chriscambridge » Tue Jan 28, 2020 6:24 pm

I think there was a bit of a backlash as the previous tasks run out so quickly, so they have added another 10,000+

The work seems to be different than previously:
The purpose of the work is (broadly speaking) methods development, i.e. build a dataset to improve the foundation of future MD-based research (not just GPUGRID). More details may come if it works ;)
QuChemPedIA isn't a project I run so I don't know too much about that. I turned off when I heard the word 'virtualbox'.
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Woodles
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Re: New GPUGrid Project: MDAD

Post by Woodles » Tue Jan 28, 2020 8:07 pm

Hi Chris, you don't need VirtualBox on QuChem if you're running Linux :)

Damien Healy
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Re: New GPUGrid Project: MDAD

Post by Damien Healy » Tue Jan 28, 2020 8:19 pm

Woodles wrote:
Tue Jan 28, 2020 8:07 pm
Hi Chris, you don't need VirtualBox on QuChem if you're running Linux :)
Yes, that seems to be the secret for QuChem ... Windows + VBOX seems to be problematic. Native Linux or even a Linux VM on Windows works a charm.

Woodles
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Re: New GPUGrid Project: MDAD

Post by Woodles » Tue Jan 28, 2020 8:22 pm

I've just noticed a message from them as well about a new Linux app being tested. Work available soon but
WARNING, this code is in beta and has a very high chance to fail. Please only use it if you want to monitor what is going on and help debugging

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Re: New GPUGrid Project: MDAD

Post by Damien Healy » Tue Jan 28, 2020 8:27 pm

Hmmm ...

Woodles
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Re: New GPUGrid Project: MDAD

Post by Woodles » Tue Jan 28, 2020 8:29 pm

I'm not running it :lol:

Damien Healy
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Re: New GPUGrid Project: MDAD

Post by Damien Healy » Tue Jan 28, 2020 8:30 pm

Yeah, probably not for me either. I already have gerasim failing all over the place, not that I'm really doing a lot to try and fix that. TN-Grid is still keeping me busy ...

chriscambridge
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Re: New GPUGrid Project: MDAD

Post by chriscambridge » Tue Jan 28, 2020 8:33 pm

Woodles wrote:
Tue Jan 28, 2020 8:22 pm
I've just noticed a message from them as well about a new Linux app being tested. Work available soon but
WARNING, this code is in beta and has a very high chance to fail. Please only use it if you want to monitor what is going on and help debugging
I already saw this.. :?
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Woodles
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Re: New GPUGrid Project: MDAD

Post by Woodles » Tue Jan 28, 2020 8:34 pm

I've not had any problems with Gerasim but I'm not going flat out. WEP, PrimeGrid and now WCG are having a share as well.

Woodles
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Re: New GPUGrid Project: MDAD

Post by Woodles » Tue Jan 28, 2020 8:35 pm

chriscambridge wrote:
Tue Jan 28, 2020 8:33 pm
Woodles wrote:
Tue Jan 28, 2020 8:22 pm
I've just noticed a message from them as well about a new Linux app being tested. Work available soon but
WARNING, this code is in beta and has a very high chance to fail. Please only use it if you want to monitor what is going on and help debugging
I already saw this.. :?
If he hadn't said "... VERY HIGH ..." I might have been tempted :)

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