Hi Ilyas,
These days the performance (for a given GPU generation) is mostly correlated with the GPU power cap - so although the L4's look good spec wise on paper I suspect that they will instantly hit the power cap running AMBER and down clock significantly to stay under that limit. They are really designed for AI inference and not physics based compute. If Dell won't put A5000 cards into compute nodes then that tells everything you need to know about whether you should bother to even get quotes from Dell. ;-)
All the best
Ross
> On Jun 22, 2023, at 11:33, Ilyas Yildirim <iyildirim.fau.edu> wrote:
>
> Thanks for the prompt response, Ross. I also realized that they use lower power but in the meantime the size of the CUDA cores is almost comparable to A5000 (7680 vs8192). I tested A5000 and they look good. We are getting some quotes from different companies, and DELL is not putting A5000 cards into the compute nodes but L4 (or worse A2).
>
> Cheers,
>
> Ilyas Yildirim, Ph.D.
> ---------------------------------------------------------
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> = Florida Atlantic University =
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> From: Ross Walker <rosscwalker.gmail.com <mailto:rosscwalker.gmail.com>> on behalf of Ross Walker <ross.rosswalker.co.uk <mailto:ross.rosswalker.co.uk>>
> Sent: Thursday, June 22, 2023 11:26 AM
> To: Ilyas Yildirim <iyildirim.fau.edu <mailto:iyildirim.fau.edu>>; AMBER Mailing List <amber.ambermd.org <mailto:amber.ambermd.org>>
> Subject: Re: [AMBER] Can L4 GPU cards be used with AMBER 22?
>
> EXTERNAL EMAIL : Exercise caution when responding, opening links, or opening attachments.
>
>
> Hi Ilyas
>
> The L4 GPUs should work fine with AMBER 22 but I haven't had a chance to explicitly benchmark them yet. They are very low power GPUs (just 72W each) so I would expect the performance to pretty poor. You'd probably be much better off with A4500, A5000 or A5500 cards which are available at a discount right now - likely cheaper than the L4. See:
>
> https://www.exxactcorp.com/blog/Molecular-Dynamics/RTX3090-Benchmarks-for-HPC-AMBER22-A100-vs-RTX3080-vs-RTX3070-vs-RTX6000
>
> for performance comparisons.
>
> All the best
> Ross
>
>> On Jun 21, 2023, at 17:19, Ilyas Yildirim via AMBER <amber.ambermd.org <mailto:amber.ambermd.org>> wrote:
>>
>> Dear All,
>>
>> Does anyone have any experience on running the cuda versions of the AMBER 22 software under NVIDIA's L4 GPU cards? I am planning on upgrading my lab's GPU cluster. Thanks in advance.
>>
>> Best regards,
>>
>> Ilyas Yildirim, Ph.D.
>> ---------------------------------------------------------
>> = Assistant Professor =
>> = Department of Chemistry & Biochemistry =
>> = Florida Atlantic University =
>> = 5353 Parkside Drive, Jupiter, FL 33458 =
>> = Building MC17, Room # 224 =
>> = Phone: +1(561)799-8325 | E-mail: iyildirim_at_fau.edu <http://iyildirim_at_fau.edu/> =
>> ---------------------------------------------------------
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Received on Thu Jun 22 2023 - 09:00:03 PDT
