Re: [AMBER] fail when run pmem.cuda

From: David A Case <>
Date: Sun, 29 Nov 2020 13:35:13 -0500

On Sat, Nov 28, 2020, Carlos wrote:
>I used to work with amber14 GPU code, ubuntu14, cuda6.5 GTX 970 and usually
>it works well,, but sometimes my computer fails, so I bought a new CPU
>and a GTX 1660 and I installed amber14 GPU code, ubuntu14.04, cuda 7.5 and
>installation was ok, but when I run a molecular dynamic, appears the next
>cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol

Did you run the test suite? That will help decide whether the problem
is with the installation, or with your particular input(s). But I'm
guessing that cuda7.5 may not produce valid code for Turing GPU's --
that claim has been made on the mailing list, e.g. here:

But it is certainly possible that Amber14 won't run correctly on a GPU
that was made more than 5 years later, even if one worked on getting
around the fact that it thinks more recent CUDA versions are unsupported.
You should certainly consider an upgrade to Amber20.


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Received on Sun Nov 29 2020 - 11:00:03 PST
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