Hello,
does anybody know if it has been answered yet whether amber18 will work with A100 GPUs? In addition to the unanswered post below from August 2021, I found these links as well, but no clear answers. I have the same error message as reported below when using Cuda10.2 to install amber18.
http://archive.ambermd.org/202009/0035.html
http://archive.ambermd.org/202009/0392.html
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From: Ilyas Yildirim <iyildirim.fau.edu<mailto:iyildirim.fau.edu?Subject=Re%3A%20%5BAMBER%5D%20AMBER%2018%20and%20A100%3F>>
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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