Ross walker send a message to the list in the last 2 weeks with A100,
3080 and 3090 numbers.
For A100, our own numbers agree with his, so at least two independent
sets of numbers.
Adrian
On 10/9/20 12:41 PM, David Cerutti wrote:
> [External Email]
>
> We have some A100s in a lab or two that have run benchmarks, but we do not
> yet have official numbers. We do have Amber running on A100 with proper
> compiler settings, so 3080-Ti and 3090 are not far behind (if we don't have
> it working already). With no further code changes, the A100 cards were
> about 30% faster than the reigning V100 for JAC (24,000 atoms), and up to
> 50% faster for larger systems. Very impressive results, especially
> considering that the A100 requires that the code uitilize explicit
> __syncwarp() commands that the earlier cards can do without (these
> synchronizations amount to 5-15% of the effort if earlier cards are
> required to use them). This is happening in the context of the cards
> having about 30% greater fp32 instruction throughput (19.5 TFLOPS) than a
> V100, so I wouldn't count on new kernel tuning to carry us much further--I
> suspect the cellulose case, in fact, was benefitting from the better memory
> bus as much as the higher FLOPS.
>
> NVIDIA is once again pushing the envelope, but the real innovations with
> the A100 are in the fp32 tensor cores which we do not (yet) marshall for
> our purposes. The fp32 tensor operations are much more suitable for our
> needs, however, so it's becoming easier to see MD consuming the 150 TFLOPS
> that the A100's tensor cores provide.
>
> One thing I would caution about, especially for people eager to buy Ampere
> and feed them with existing PCI/Express cables, is that power draw is
> likely to be a limiting factor. I doubt anyone is thinking about an A100
> except in the context of an HGX server, which will have the electricity
> problem solved out-of-the-box. Gamers are happy with the RTX-3080, saying
> that it delivers 25% more performance on 10% more juice than the last big
> thing, the RTX-2080Ti (this is in line with what the A100 should deliver
> over the RTX-6000 or V100). Specifically, they're talking about a 300-350W
> power envelope, compared to a 275-300W envelope. The A100 itself is rated
> up to 400W. Take a look at the following specs:
>
> https://urldefense.proofpoint.com/v2/url?u=https-3A__www.nvidia.com_en-2Dus_data-2Dcenter_a100_&d=DwICAg&c=sJ6xIWYx-zLMB3EPkvcnVg&r=dl7Zd5Rzbdvo14I2ndQf4w&m=9eP_ZSN1QqTZLhpL8360yobhLhUtfPM6bVbaaZMn8U4&s=kCaH0MKzjH9iXcUJmEvJrzv1OyfQhL3hebtLytFPEI8&e=
>
> <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.nvidia.com_en-2Dus_data-2Dcenter_a100_&d=DwICAg&c=sJ6xIWYx-zLMB3EPkvcnVg&r=dl7Zd5Rzbdvo14I2ndQf4w&m=9eP_ZSN1QqTZLhpL8360yobhLhUtfPM6bVbaaZMn8U4&s=kCaH0MKzjH9iXcUJmEvJrzv1OyfQhL3hebtLytFPEI8&e= >The only difference in the
> HGX and PCI/E cards? 400W in the former and 250W in the latter, which has
> to mean that the latter is not going to operate near peak FLOPs for any
> sustained period of time. my feeling is that, if you hook any Ampere card
> up to a power supply that wasn't designed to support 350W, you're not going
> to see that much more performance than you were getting with your
> RTX-2080Ti or Titan-V. There are some impressive features in the Ampere
> cards, but the improvement in FLOPs / Watt is incremental and, once again,
> they are loaded with cores that we and other scientific programmers are not
> yet taking advantage of. The cause for optimism is that it is becoming
> more likely that we will take advantage of these innovations with only
> moderate changes to our algorithms.
>
> Dave
>
>
> On Fri, Oct 9, 2020 at 11:37 AM Mike Mazanetz <mikem.novadatasolutions.co.uk>
> wrote:
>
>> Dear All,
>>
>>
>>
>> I would like to know whether there has been any benchmarking against the
>> NVIDIA GeForce RTX 3080 GPU cards and whether there is any doubt whether
>> this would work with
>>
>> the latest version of AMBER and previous version, eg AMBER16.
>>
>>
>>
>> Many thanks,
>>
>> mike
>>
>>
>>
>>
>>
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>>
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--
Dr. Adrian E. Roitberg
V.T. and Louise Jackson Professor in Chemistry
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Fri Oct 09 2020 - 10:00:02 PDT
