Hi Fabian,
Your performance seems to be in the expected range. Here you can compare
recent cards:
https://www.exxactcorp.com/blog/Molecular-Dynamics/rtx3090-benchmarks-for-hpc-amber-a100-vs-rtx3080-vs-2080ti-vs-rtx6000
Cheers,
Stephan Schott Verdugo
Biochemist
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
Germany
El mar, 5 abr 2022 a las 15:26, Fabian Glaser (<fabian.glaser.gmail.com>)
escribió:
> Dear experts,
>
> I have recently purchased a new machine with NVIDIA RTX A5000, and when I
> compare the performance (identical system) with my older machine with
> GeForce RTX 2080 Ti, the improvement is just about 20% ns x day. My system
> of 143727 atoms runs about 140ns / day for the 2080Ti and 170ns for the
> A5000 (both with dt=0.004)
>
> Is that a reasonable performance?
> I compiled with the cmake defaults (after some tweaks and some work I have
> to say), is there a better way to compile cuda 11.04 with pmemd.cuda that
> will run faster?
>
> Thanks a lot!
>
> Fabian
>
>
>
> --------------------------
> Fabian Glaser, PhD
>
> Structural and Computational Biology Unit
> The Lorry I. Lokey Center for Life Sciences and Engineering
> Technion - Israel Institute of Technology, Haifa, Israel
>
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Received on Tue Apr 05 2022 - 08:00:02 PDT
