[gmx-users] Gromacs 2019.4 compliantion with GPU support

[Mark Abraham]

Hi,

I suspect that you have multiple versions of hwloc on your system, and
somehow the environment is different at cmake time and make time (e.g.
different modules loaded?). If so, don't do that. Otherwise, cmake
-DGMX_HWLOC=off will work well enough. I've proposed a probably fix for
future 2019 versions.

Mark

On Thu, 12 Dec 2019 at 12:43, bonjour899 <bonjour899 at 126.com> wrote:

> Hello,
>
>
> I'm trying to install gromacs-2019.4 with GPU support, but was always
> wrong.
> I ran cmake as
> cmake3 .. -DCMAKE_INSTALL_PREFIX=~/gromacs/gmx2019.4
> -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=ON
> -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DGMX_HWLOC=ON
> It works but when installing always get error messages. (Attached please
> find the messages I got after running cmake and the error messages for
> installing.)
> Sorry for posting so much information, I really want to know how to solve
> this.
> Thanks.
>
>
> Wen--
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