[gmx-users] GROMACS- suggestion for GPU buying

[Szilárd Páll]

If price does not matter, get V100s; if it matters somewhat get TITAN-V's.
Same applies if you want best performance per simulation. If you want best
perf/buck, the 1080 Ti is still better investment (or you could wait an see
if the next-gen consumer cards come out soon).

--
Szilárd


On Tue, Jul 10, 2018 at 4:12 PM malkeet singh Bahia <msbahia17 at gmail.com>
wrote:

> Hello Developers!
> Hope you are doing well!
>
> We are interested in buying new GPU card for simulating relatively big
> protein systems (more than 300K atoms) using GROMACS latest version.
> Currently, we have one P100 card (with 16 "real" cpu cores) that provides a
> good speed of around 10 ns/day for that system size.
> We were wondering if there is any recommendation/experience with other
> cards that will speed up the simulation time. Specifically, V100 PCIE,
> TITAN-V ,or GTX-1080TI.
>
> Many thanks,
>
> Malkeet
> --
> Thanks & Warm Regards
>
> ​
> Malkeet S. Bahia, PhD
> Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
> PBC Indo-Israel Post-doc fellowship
> Dept. of Chemistry, Building 211, Room no. 211
> Bar Ilan University,  Ramat Gan, 5290002,  ISRAEL
>
> Mobile: +91-9815988501 (India, watts app only)
> +972-584553434 (Israel number)
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