Hey everyone,
I am sending out some WUs to the long queue called BARNA (pun intended). The system we are investigating is Barnase/Barstar which are two proteins that interact with each other.
http://en.wikipedia.org/wiki/Barnase
http://en.wikipedia.org/wiki/Barstar

This will be (as far as I know) our first protein-protein interaction study and we are hoping to study some interactions like the ones in the crystallographic model and further develop the corresponding analysis tools.

One completed so far. Very nice GPU utilization on GTX 780Ti w/ Win7 at ~85% with CPU crunching at 75%.

I just recently created an application for my Dell XPS 730x computer, which is capable of controlling the XPS System Fan, ramping fan up and throttling fan down, all based on the GPU Temp of my GTX 660 Ti.

And then I picked up one of these BARNA tasks.
WOW!

It is pushing my GTX 660 Ti very hard, at 100% Power consumption, at 80% (full) GPU Fan, and at 92% GPU Usage even with a full load of CPU tasks also running.

This is all very good, of course. I don't think I've ever seen my GPU work harder on any other task type. And, for reference, I have a closed hot system, and this task type triggered my program to keep my system fan at full speed :)

Thanks for helping me test my program.

Regards,
Jacob

Currently chewing one too, very nice utilization:

vagelis@vgserver:~$ gpuinfo 
    Fan Speed                       : 47 %
        Gpu                         : 59 C
    FB Memory Usage
        Total                       : 1023 MiB
        Used                        : 868 MiB
        Free                        : 155 MiB

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My 780Ti does very good with these as well, 88-90% GPU load and using 1150MB of memory. Temperature is a bit higher, now 76-77°, is with other WU's 72-74°. But ambient temperature is 29°C.
Still using the "old" driver 331.82.

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Greetings from TJ

Stefan, excellent research choice!

I concur that these WU's use plenty of GDDR, use a bit more power, utilize the GPU very well (91% for me), result in slightly higher temps and so far appear to be stable; my GTX770 is running true at 1267MHz. Using 335.23.

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Very good job and idea.
Gpu-load 86-87%
Cpu - 0.812 1 core
Memory used about -2660 mb,each gf card. That's great if beginning to use Tasks all possible memory to the graphics card .. I has a free six gigabytes respectively .. 4 gigabytes real ))

From the previous simulations we found out that we need to produce longer simulations to analyze their interactions well, so I am submitting some more of these workunits. Should fill up the queue for a while :)

Thank you for the follow up - we appreciate seeing the continuing progress and evolution of this experiment.

Longer tasks are typically more challenging, in a good way, as we need to keep our rigs stable and running smooth for longer stretches. A full queue always keeps us grunts happy.

All put together - well done!

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Thanks - Steve

These longer BARNA's run smooth on my GTX780Ti. Steady 88% GPU load, using ~1100MB RAM and boost the card at steady 73°C (thanks to Jeremy Z). Completed in around 5 and a half hours in Win7 with "old" 331.82 driver.
By comparison: 7.8 hours on my GTX770. I like these WU's Stefan.

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Greetings from TJ

Thanks :) Sorry I didn't make it clear, but the single WUs steps that you calculate are actually the same length as the older ones. They are just configured to run more steps, meaning that they will be longer in the end. So in theory from your point of view they should take roughly the same time as before (plus minus half an hour?).

Have fun!

These longer BARNA's run smooth on my GTX780Ti. Steady 88% GPU load, using ~1100MB RAM and boost the card at steady 73°C (thanks to Jeremy Z). Completed in around 5 and a half hours in Win7 with "old" 331.82 driver.
By comparison: 7.8 hours on my GTX770. I like these WU's Stefan.

That's quick.
It's looking like about 8h 45min on my GTX770 (W7x64 1163MHz Boost) 337.50.
Probably down to not using SWAN_SYNC, running 7 CPU tasks, using slow DDR and being on a PCIE2 bus (older controller). GPU usage is a bit spiky. When the WU completes I'll enable SWAN_SYNC, reduce the CPU usage and reboot, to see how the next one fares.

Stefan,
I take it that you reduced the detail/accuracy making each step quicker?

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No, simulations should be same accuracy. What I call "steps" or sometime "chain-steps" are consecutive pieces of a WU. This means that you get sent a WU, finish it, and it is sent to another user to continue from your endpoint. If you stick all these steps together you have one very long simulation. So I just told GPUGRID to continue sending out the ends of your simulations to other users for quite some while so that I get very long simulations.

Although 5.5 hours does indeed sound too short... I will take a look.

My 770 is running at 1149.7MHz (GPU-Z), 93% load. But as I still us the older 331.82 driver, I can not use SWAN_SYNC. The CPU is a Haswell from last year, the i7-4770K but I am still using old RAM 799.6MHz, 8GB in total. The CPU is only doing four Rosetta WU's, and two for GPUGRID, as I have also a 780Ti in this PC. Both using 0.749CPU's. So indeed skgiven that helps a bit in speeding things up (less CPU use, we have both experimented with that). But I guess its the driver. With the latest drivers, the 780Ti is hampered, reported by several other crunchers, and I saw that too when installed 337.50 beta and reverted back two days later.
I don't know if that has the same effect on the 770 as I did not look at that, wrong off course, not how it should be with research, but I was only focused on the 780Ti.

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Greetings from TJ

Aha, now I understand, thanks for the explanation Stefan.

Although 5.5 hours does indeed sound too short... I will take a look.

Or perhaps you did find a way to get more out of the 780Ti, the "wonder card" that runs not optimal under Windows later then XP...

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Greetings from TJ

Thanks for the explanation Stefan,

Don't look too hard at the GTX780Ti. Its 45% faster than a GTX770, and the rest of the difference (45min) is just down to my set-up (and it's a new set-up); I moved the card from another system as it was rattling. I was also running 3 climate models on that system (as well as 4 other CPU task). The climate models are greedy and don't scale well past using 4 threads.
I will need to wait for an A2ART4E_adaptive2 WU to finish, then I might see another BARNA and be able to tell if my changes make much difference (I expect they will though).

The GTX780Ti is a GK110 card, whereas the GTX770 is GK104. So that might explain the difference in performance when comparing old drivers against new drivers. It's also worth noting that if you use the new driver and SWAN_SYNC you would need to configure Boinc to use 1 less CPU thread; although using SWAN_SYNC forces the app to have a full CPU thread allocated to it, Boinc still goes by 0.799CPU's and because this is <1 will try to run another CPU app. So, if you are using a 335 or later driver and you set SWAN_SYNC (and reboot) Boinc apps will use 1 more CPU thread.

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As expected I saw an improvement on runtime from using the better settings:

7h 26min rather than 8h 45min

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As expected I saw an improvement on runtime from using the better settings:

7h 26min rather than 8h 45min

Good to read that it worked out nicely for your 770.

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Greetings from TJ

The BARNA projects running on Dec. 2014 were at like 60/100 steps.
Then they sort of went away, or got de-prioritized?

I never see them anymore.
Did you get enough data, or we just giving the rest of the lab a turn?

They are finished. We simulated more than enough and now it's time to analyse them with some collaborators. Thank you very much for crunching them :)