Re: [AMBER] Amber22 installation issues

From: Gao Zhenting via AMBER <amber.ambermd.org>
Date: Tue, 28 Jun 2022 23:05:25 +0800

Hi Dac,

Thanks for the reply.
Using CUDA 11.7 is not a must, I just want to try the latest CUDA so that
the compiled Amber will be compatible with new GPU models in the future.
With CUDA 11.1 and GNU GCC 8.5, Amber22 is compiled successfully. What
combination did you choose?

Best regards
Zhenting

David A Case <david.case.rutgers.edu> 于2022年6月28日周二 19:55写道:

> On Tue, Jun 28, 2022, Gao Zhenting via AMBER wrote:
>
> >I want to build on CUDA 11.7, but failed
> >
> >With GCC 12.1, the compatibility is reported as 'unknown', and during
> >compilation CUDA reported compatibility issue with GCC 12.1
> >
> >"/cuda/11.7/include/crt/host_config.h:132:2: error: #error -- unsupported
> >GNU version! gcc versions later than 11 are not supported!
>
> This message comes from NVIDIA, and we can't do anything about it.
>
> >'-allow-unsupported-compiler' can be used to override this version check;
> >however, using an unsupported host compiler may cause compilation failure
> >or incorrect run time execution. Use at your own risk."
>
> You could try this, but Amber itself has not been tested with gcc 12 (which
> was not released until May 6, 2022, which is after Amber22 itself was
> released.) So you may well see problems with GCC 12.1.
> >
> >With GCC 11.3 or 10.3, Amber installation script report " Incompatible
> CUDA
> >and GNU versions" error.
>
> These errors are handled in cmake/CudaConfig.cmake. You can likely change
> line 86 to refer to "11.7" rather than "11.6". Or, just comment out the
> "message(FATAL_ERROR)" in line 124.
>
> [Scott: do you have time to try to future-proof this file?]
>
> ...thx...dac
>
>
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Received on Thu Aug 04 2022 - 13:33:37 PDT
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