We have two workstations with octa core Ryzen processors. One workstation has a single NVIDIA GPU while the second has 3 NVIDIA GPUs. They seemed to work very well initially (8 CPU Ryzen cores + 1 GPU performance was higher than a 32 cores of Xeon E5 v2 processor processor for NAMD) but after a few months started hanging and showing a decrease in performance (but still better than 32 core Xeon E5 v2). This is the issue with both workstations after around 6-10 months. We often run simulations for several days at a stretch as required for typical MD simulations. I typically use Amber tools for analysis and Gromacs or NAMD for MD as we don't have Amber license.
Since you are looking at a relatively higher end processor family (Threadripper), things might work well. But do look at reviews on major online stores or post on Quora or Tom's. I have read reviews where AMD processors show problems due to heating but those not frequent reviews as people are content with low cost of AMD processors.
Regards,
Raman
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________________________________
From: Jordi Bujons <jordi.bujons.iqac.csic.es>
Sent: Sunday, November 8, 2020 11:50:17 PM
To: amber.ambermd.org <amber.ambermd.org>
Subject: [AMBER] Amber 20 on AMD ryzen + Nvidia 30XX
Hi,
At our group we are considering buying a new machine equipped with one or
two 3080 or 3090 GPUs to run Amber 20. The computer store recommends to get
an AMD based computer, with a Ryzen 3960X CPU and a TRX40 motherboard that
supports the PCIe 4.0 bus present in Nvidia 3080/3090. I have seen several
comments on the list about the 3080 and 3090 GPUs, but does anybody has
experience with such a combination of CPU+GPU? Will Amber 20 take much
advantage of having PCIe 4.0 rather than PCIe 3.0?
Any comments will be appreciated.
Jordi
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Jordi Bujons, PhD
Dept. of Biological Chemistry (QB)
Institute of Advanced Chemistry of Catalonia (IQAC)
National Research Council of Spain (CSIC)
Address: Jordi Girona 18-26, 08034 Barcelona, Spain
Phone: <tel:%2B34%20934006100%20ext.%201291> +34 934006100 ext. 1291
FAX: <tel:%2B34%20932045904> +34 932045904
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Received on Sun Nov 08 2020 - 23:30:02 PST
