[AMBER] GTX470 and Amber 11 Cuda tests

From: filip fratev <filipfratev.yahoo.com>
Date: Fri, 24 Dec 2010 23:14:04 -0800 (PST)

Dear Amber users,
First of all Marry Christmas and Happy New Year!!

I did some tests with Asus GTX470 and Amber 11 (bug fixes 1-11 applied) and Phenom II X6 1090T.4.0GHz, Fan Speed 100% by Coolbits option set to 5 and the Temps 67C Max GPU during the tests and MB 33C. Unfortunately by some reasons I used Cuda version 3.1 not 3.2.
Here are some of the results using the Amber benchmark tests for CUDA:

Explicit Solvent
1) JAC-NTV: 21.92 ns/day
2) JAC-NTP: 18.97 ns/day
3) JAC-NTP 6x1090T: 5.63 ns/day
4) FactorIX NVE: 5.56 ns/day
5) FactorIX NTP: 3.68 ns/day

1) TRPCage: 380.14 ns/day
2) Myoglobin: 48.82 ns/day

As you can see form the above examples and those on the Amber web, GTX470 performed better than even C2050 for the small systems. The overcklocking is still no possible before Nvidia to issue some drives for that but we could expect up to 20% increase of the performance after overcklock, i.e. similar performance to the new GTX570. Thus we hope that the bug issue with those cards will be solved by Amber and Nvidia teams!

Interestingly, my simulations did not crash after short MD tests as it was reported previously by some other GTX470 users:
I run few 500ps to 2 ns simulations on JAC and also the example from MMPBSA and everything was ok.



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Received on Fri Dec 24 2010 - 23:30:02 PST
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