[gmx-users] Compilation issue, MacOS 10.13.5 - Gromacs 2018 - CUDA 9.2

Florian Nachon florian.nachon at chemdef.fr
Wed Jun 20 12:56:58 CEST 2018

> On 18 Jun 2018, at 20:14, Владимир Богданов <bogdanov-vladimir at yandex.ru> wrote:
> HI,
> I tried to install gromacs with cuda support on MacBook Pro 2015 (macOS 10.13.4) + eGPU (nvidia titan xp) many times and always have got errors. I didn’t try to install Ubuntu on my MacBook and then install gromacs with cuda, but I guess it could work. Excuse me for my English. 

The trick is to use the correct compilers. I had no problem to install Gromacs 4.5, 5 or 2016 with CUDA support and OpenMP, using clang from Apple (Xcode) and clang from macport (or homebrew). Unfortunately, I can’t get it working with 2018.
I will try another version of Clang from macport (lower version). May be it will work...


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