Re: [AMBER] Amber20 pmemd.cuda installation

From: David A Case <>
Date: Sun, 17 May 2020 20:34:56 -0400

On Sun, May 17, 2020, Filip Fratev wrote:
>I was able to install pmemd.cuda only if I use the old ./configuration
>method. In this way the link between gcc7 and cuda 10.2, as such for
>example |sudo ln -s /usr/bin/gcc-7.xx /usr/local/cuda/bin/gcc| is
>possible. However, this is not possible using the new cmake procedure.

I'm not understanding the above. cmake should use whatever gcc is first
in your PATH. Perhaps I'm misunderstanding what your tried, and why
it didn't work. (To avoid tinkering with the PATH, you can set
-DCOMPILER=MANUAL, and use the environment variables CC, CXX and FC to
specify the compilers you wish to use. But for me, just updating my
PATH has always seemed the simplest solution. Even in the legacy build,
what you wrote above will only help if /usr/local/cuda/bin is earlier in
your PATH than /usr/bin.)


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Received on Sun May 17 2020 - 18:00:02 PDT
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