[AMBER] AMBER 18 and A100?

From: Ilyas Yildirim <iyildirim.fau.edu>
Date: Fri, 13 Aug 2021 06:00:30 +0000

Dear All,

Is it possible to compile AMBER18 to use A100? If yes, how is the CUDA version compiled? We compiled successfully using CUDA 10, but all the tests fail with the following error message:

cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol

Do we need to upgrade to AMBER20 to make A100 work? Thanks.

Cheers,

Ilyas Yildirim, Ph.D.
  ---------------------------------------------------------
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  = Department of Chemistry & Biochemistry =
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  = Phone: +1(561)799-8325 | E-mail: iyildirim.fau.edu =
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Received on Thu Aug 12 2021 - 23:30:02 PDT
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