[gmx-users] Gromacs 2018 support Radeon GPU?

[Mark Abraham]

Hi,

You can probably get GPU support via the OpenCL implementation in GROMACS.
Check out the installation guide, and get the most recent version of
everything.

Mark

On Mon, Aug 13, 2018, 20:18 김나연 <skdsu1 at gmail.com> wrote:

> Hi! I want to using GROMACS on my PC(Mac OS).
> There is an error in the installation of “make" process.
> My computer has 3.2GHz Intel Xeon W processor and Radeon Pro Vega 56
> 8176MB GPU. (iMac pro default)
>
> 1) My computer is appropriate for GROMACS?
> 2) Can I use GPU for mdrun?
>
> If it’s possible, I want to get information of installation.
> Please help me. I really want to study protein-ligand complex.
> {I already install gcc compiler and fftw and cmake}
> *gcc : Configured with: --prefix=/Library/Developer/CommandLineTools/usr
> --with-gxx-include-dir=/usr/include/c++/4.2.1
> *fftw : fftw-3.3.8 fftw_wisdom #x4be12fff #x7b2df9b2 #xa5975329 #x385b0041)
> *cmake : cmake version 3.12.1
>
> Thank you!
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