Re: gpu performance

From: Vermaas, Josh (
Date: Mon Apr 19 2021 - 08:33:17 CDT

>From my albeit limited understanding, a RTX 6000 is roughly the equivalent of a RTX2080-TI in terms of performance. The RTX 6000 has features NAMD doesn't really benefit from (double precision arithmetic, large amounts of RAM), so usually the price delta vs a "gaming" card makes them worse in terms of price/performance at MSRP for NAMD. For the price of one RTX 6000 (~$4500), I basically got a complete system with an RTX 3090 preinstalled from a system integrator ($5000 per workstation). It may be cheaper/faster to spec a new pre-built system with 2 GPUs, and once it arrives, yank one out to upgrade your existing workstation.


On 4/19/21 6:03 AM, Stefano Guglielmo wrote:
Dear all, I am trying to upgrade a workstation with a new gpu. The workstation is equipped with a dual core Intel Xeon Gold 5218R Processor, 27.5M Cache, 2.10 GHz 20 Cores and 192 GB of ram.
Due to difficulties to get hands on Nvidia rtx 3090 (and 3080 as well), I am considering to turn to quadro rtx6000. Are there any benchmarks for this card, or does anyone have experience on that, with the most recent versions of NAMD?
Thanks in advance

Associate Professor of Medicinal Chemistry
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Josh Vermaas
Assistant Professor, MSU-DOE Plant Research Lab and Department of Biochemisty and Molecular Biology<>;!!DZ3fjg!r6N97z2-aPgzdUcYw7mdLvta15e-qcTVxUlj_yAiyB2Q3n0zhfztVFPGvtzxZOBm1g$ 

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