Re: [AMBER] Does amber work with NVIDIA RTX6000?

From: Shenglong Wang <sw77.nyu.edu>
Date: Fri, 15 Nov 2019 22:33:27 -0500

Thanks, Dave. With more readings, I found 0.509 TFLOPS for double precision with one card.

https://www.microway.com/knowledge-center-articles/in-depth-comparison-of-nvidia-quadro-turing-gpu-accelerators/ <https://www.microway.com/knowledge-center-articles/in-depth-comparison-of-nvidia-quadro-turing-gpu-accelerators/>

Is it correct that Amber still needs very little double precision workload though most of the calculations are via single precision?

Best,
Shenglong

> On Nov 15, 2019, at 10:16 PM, David Cerutti <dscerutti.gmail.com> wrote:
>
> Absolutely it works with these cards. I haven't been able to produce
> benchmarks I am satisfied with because my RTX-6000 is not well powered, but
> the calculations run fine. There is double precision on that card but not
> nearly as much as something like a Titan-V. The difference between 6000
> and 8000 is only memory, and the 6000 itself has gobs of it (24GB).
> Doubling that to 48GB in the 8000 isn't necessary for any simulations that
> Amber can run--other parts of the code will break before you make a system
> large enough to hit that GPU memory limit.
>
> Dave
>
>
> On Fri, Nov 15, 2019 at 11:36 AM Shenglong Wang <sw77.nyu.edu> wrote:
>
>> Does amber work well with NVIDIA RTX 6000 and RTX 8000? It seems they are
>> single precision only without any double precision support.
>>
>>
>> https://urldefense.proofpoint.com/v2/url?u=https-3A__www.nvidia.com_content_dam_en-2Dzz_Solutions_design-2Dvisualization_quadro-2Dproduct-2Dliterature_quadro-2Drtx-2D6000-2Dus-2Dnvidia-2D704093-2Dr4-2Dweb.pdf&d=DwICAg&c=slrrB7dE8n7gBJbeO0g-IQ&r=gI7YPDDMIksUN29Y65_UCg&m=bD7pGAUwuUqJAHWfWwWjyofSkdO-gDggwO6IFtCvAqs&s=pbQED7QU8vymG9Niyz-rap1w3YkjfW2JdcIjZyVhZRs&e=
>> <
>> https://urldefense.proofpoint.com/v2/url?u=https-3A__www.nvidia.com_content_dam_en-2Dzz_Solutions_design-2Dvisualization_quadro-2Dproduct-2Dliterature_quadro-2Drtx-2D6000-2Dus-2Dnvidia-2D704093-2Dr4-2Dweb.pdf&d=DwICAg&c=slrrB7dE8n7gBJbeO0g-IQ&r=gI7YPDDMIksUN29Y65_UCg&m=bD7pGAUwuUqJAHWfWwWjyofSkdO-gDggwO6IFtCvAqs&s=pbQED7QU8vymG9Niyz-rap1w3YkjfW2JdcIjZyVhZRs&e=
>>>
>>
>> Best,
>> Shenglong
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DwICAg&c=slrrB7dE8n7gBJbeO0g-IQ&r=gI7YPDDMIksUN29Y65_UCg&m=bD7pGAUwuUqJAHWfWwWjyofSkdO-gDggwO6IFtCvAqs&s=GBXuK8e17tnRnwoZaqRst3bNytP_Y-MDA3xhh9jxNy4&e=
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DwICAg&c=slrrB7dE8n7gBJbeO0g-IQ&r=gI7YPDDMIksUN29Y65_UCg&m=bD7pGAUwuUqJAHWfWwWjyofSkdO-gDggwO6IFtCvAqs&s=GBXuK8e17tnRnwoZaqRst3bNytP_Y-MDA3xhh9jxNy4&e=

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Nov 15 2019 - 20:00:02 PST
Custom Search