Exxact has several AMBER benchmarks you can review between these 2 GPUs here:
https://www.exxactcorp.com/blog/Molecular-Dynamics/rtx3090-benchmarks-for-hpc-amber-a100-vs-rtx3080-vs-2080ti-vs-rtx6000
Jason Hogrefe
Exxact Corporation
-----Original Message-----
From: Fabian Glaser <fabian.glaser.gmail.com>
Sent: Tuesday, April 5, 2022 6:26 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] A5000 vs 2080 Ti
[EXTERNAL]
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 - 12:00:04 PDT
