I posted the following email to the AMBER mailing list but did not get any response. Does anyone know any way to use amber18 with A100 NVIDIA cards? Thanks in advance.
Best regards,
Ilyas Yildirim, Ph.D.
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= Assistant Professor =
= Department of Chemistry & Biochemistry =
= Florida Atlantic University =
= 5353 Parkside Drive, Building MC17, Jupiter, FL 33458 =
=
= Phone: +1(561)799-8325 | E-mail: iyildirim.fau.edu =
---------------------------------------------------------
= Website: http://cosweb1.fau.edu/~iyildirim =
=
http://www.linkedin.com/in/yildirimilyas =
=
http://scholar.google.com/citations?user=O6RQCcwAAAAJ =
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________________________________
From: Ilyas Yildirim <iyildirim.fau.edu>
Sent: Friday, August 13, 2021 2:00 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: AMBER 18 and A100?
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.
---------------------------------------------------------
= Assistant Professor =
= Department of Chemistry & Biochemistry =
= Florida Atlantic University =
= 5353 Parkside Drive, Building MC17, Jupiter, FL 33458 =
=
= Phone: +1(561)799-8325 | E-mail: iyildirim.fau.edu =
---------------------------------------------------------
= Website: http://cosweb1.fau.edu/~iyildirim =
=
http://www.linkedin.com/in/yildirimilyas =
=
http://scholar.google.com/citations?user=O6RQCcwAAAAJ =
---------------------------------------------------------
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Received on Tue Aug 17 2021 - 12:00:02 PDT
