Re: [AMBER] Amber compilation with GCC 11.3.0 + CUDA 11.7.0

From: Scott Brozell via AMBER <amber.ambermd.org>
Date: Fri, 2 Dec 2022 15:27:58 -0500

Hi,

On Fri, Dec 02, 2022 at 01:16:37PM +0100, Vlad Cojocaru via AMBER wrote:
> I am trying to build Amber 22 with cuda support at an HPC site and I an
> getting a cmake error that CUDA 11.7.0 is incompatible with GCC 11.3.0. I
> don't have any control over the local settings and library installations at
> the HPC site. The local support team told me that they have compiled many
> software packages (including GROMACS) with this combination of CUDA and GCC.
> So they suggested this is a specific AMBER issue.
>
> I also looked at the CUDA compatibility and it does seem that CUDA 11.7.0 is
> compatible with GCC 11 in general but I haven't found precisely GCC 11.3.0
> on that list
>
> I should also say that I have built Amber22 with CUDA 11.8.0 and GCC 11.2.1
> on different local Linux workstations without any issue whatsoever.
>
> Has anyone seen a similar issue with this CUDA/GCC combination and has any
> idea if it can be fixed somehow from within Amber (without the need to
> install a new CUDA or use another GCC) ?

The standard document
https://stackoverflow.com/questions/6622454/cuda-incompatible-with-my-gcc-version
shows that they are compatible, but this may be a precision issue as you suggest.

What happens if you change amber22_src/cmake/CudaConfig.cmake line 86 from
                        AND CUDA_VERSION VERSION_LESS_EQUAL 11.7 )
to
                        AND CUDA_VERSION VERSION_LESS_EQUAL 11.7.0 )
?

For above and for CUDA 11.8.0, the checking code was written before those
versions existed.

thanks,
scott


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Received on Fri Dec 02 2022 - 12:30:03 PST
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