Re: [AMBER] Amber20 5 times slower than Amber18?

From: David A Case <>
Date: Tue, 15 Jun 2021 09:02:19 -0400

On Mon, Jun 14, 2021, Yu Chen wrote:
>We just finished installing Amber20 on Centos 6.9. It's compiled with
>gcc5.2.0 and cuda80.
>After installation, we ran some previous tests with GPU accelerations. All
>of them finished 5 times slower than previous versions.

It might good to run one of the benchmark calculations that most
resembles the previous tests you mention above. Are your tests on large-ish
or small-ish systems? PME or GB? Anything else that might help. Knowing
what sort of GPU card you have might also help.

Cuda 8.0 is pretty old by now, and it's likely that Amber developers haven't
tested Amber20 with that SDK. So it's worth considering installing a more
recent version.

Maybe someone on the list will recognize the symptoms here, but more info
would make that more likely.


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Received on Tue Jun 15 2021 - 06:30:02 PDT
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