[gmx-users] Error while re-compiling Gromacs 5.1.2 with GPU and gcc 5.3.1

[Szilárd Páll]

On Tue, May 31, 2016 at 10:09 PM, Diogo Martins de Sá <sadiogo at mol.bio.br>
wrote:

> Hi Florent,
>
> you''ve read my mind! I've just tried that using gcc-4.8 and g++-4.8.
>
> the "cmake" step worked like before but "make" gave the exact same error.
>

That's because the issue is in a system header.


>
> Does anyone know what the "Building NVCC" does? NVCC is the nvidia cuda
> compiler, maybe it was not found? I found this:
>

"Building NVCC (Device) object ..." is the full message and it simply
reports that the CUDA compiler (nvcc) is building an object that contain
GPU device code.



>
> CUDA codes runs on both the CPU <https://en.wikipedia.org/wiki/CPU> and
> GPU <https://en.wikipedia.org/wiki/GPU>. NVCC separates these two parts
> and sends host code (the part of code which will be run on the CPU
> <https://en.wikipedia.org/wiki/CPU>) to a C
> <https://en.wikipedia.org/wiki/C_%28programming_language%29> compiler
> like GCC <https://en.wikipedia.org/wiki/GNU_Compiler_Collection> or Intel
> C++ Compiler <https://en.wikipedia.org/wiki/Intel_C%2B%2B_Compiler> (ICC)
> or Microsoft Visual C <https://en.wikipedia.org/wiki/Microsoft_Visual_C>
> Compiler, and sends the device code (the part which will run on the GPU) to
> the GPU. The device code is further compiled by NVCC.
>
> Regards
> Diogo
>
>
> From: Florent Hédin <work at ...
> <http://gmane.org/get-address.php?address=work%2dMkgDr784jgzQT0dZR%2bAlfA%40public.gmane.org>
> >
> Subject: Re: [gmx-users] Error while re-compiling Gromacs 5.1.2 with GPU
> and gcc 5.3.1
> <http://news.gmane.org/find-root.php?message_id=574DE14D.7020708%40fhedin.com>
> Newsgroups: gmane.science.biology.gromacs.user
> <http://news.gmane.org/gmane.science.biology.gromacs.user>
> Date: 2016-05-31 19:09:01 GMT (44 minutes ago)
>
> Hi,
>
> As far as I know cuda 7.5 only supports branch 4.X of gcc, not 5.X ;
>
> what about forcing the use of gcc-4.9:
>
> CC=gcc-4.9 CXX=g++-4.9 cmake [OTHER FLAGS] ..
>
> Regards,
>
> Florent Hédin
>
>
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