[gmx-users] Xeon Gold + RTX 5000

[Alex]

That is excellent information, thank you. None of us have dealt with AMD 
CPUs in a while, so would the combination of a Ryzen 3900X and two 
Quadro 2080 Ti be a good choice?

Again, thanks!

Alex


On 7/16/2019 8:41 AM, Szilárd Páll wrote:
> Hi Alex,
>
> On Mon, Jul 15, 2019 at 8:53 PM Alex <nedomacho at gmail.com> wrote:
>> Hi all and especially Szilard!
>>
>> My glorious management asked me to post this here. One of our group
>> members, an ex-NAMD guy, wants to use Gromacs for biophysics and the
>> following basics have been spec'ed for him:
>>
>> CPU: Xeon Gold 6244
>> GPU: RTX 5000 or 6000
>>
>> I'll be surprised if he runs systems with more than 50K particles. Could
>> you please comment on whether this is a cost-efficient and reasonably
>> powerful setup? Your past suggestions have been invaluable for us.
> That will be reasonably fast, but cost efficiency will be awful, to be honest:
> - that CPU is a ~$3000 part and won't perform much better than a
> $4-500 desktop CPU like an i9 9900, let alone a Ryzen 3900X which
> would be significantly faster.
> - Quadro cards also pretty low in bang for buck: a 2080 Ti will be
> close to the RTX 6000 for ~5x less and the 2080 or 2070 Super a bit
> slower for at least another 1.5x less.
>
> Single run at a time or possibly multiple? The proposed (or any 8+
> core) workstation CPU is fast enough in the majority of the
> simulations to pair well with two of those GPUs if used for two
> concurrent simulations. If that's a relevant use-case, I'd recommend
> two 2070 Super or 2080 cards.
>
> Cheers,
> --
> Szilárd
>
>
>> Thank you,
>>
>> Alex
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