Re: [AMBER] GPU compatible with AMBER

From: David A Case <david.case.rutgers.edu>
Date: Fri, 10 Jul 2020 08:04:24 -0400

On Thu, Jul 09, 2020, Isabelle Navizet wrote:
>
>We are in the process to buy a GPU computer for running amber.
>
>CAT1 Conf n4 PRECISION 7920
>Nvidia Quadro RTX8000 (48Go, 4xDP + 1xVirtual Link)
>2x Intel Xeon Gold 6240 (18 Cores, 2.63.9GHz Turbo, 24.75Mo cache) 1
>128Go 2933 MHz DDR4 (8x16Go) ECC

The GPU should be fine: you can see RTX5000 benchmarks on our web site.

Amber GPU runs work almost entirely on the GPU, so they don't benefit from
having a high-end, multicore CPU. And they certainly don't need anything like
128 Gb of memory.

If you need lots of memory and a powerful CPU for other jobs, fine. But if
you are buying a machine primarily to run Amber, you would save money by
looking at less powerful CPU chips, and much less memory.

...hope this helps...dac


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Received on Fri Jul 10 2020 - 05:30:03 PDT
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