[gmx-users] Shell platform for GROMACS on Windows?

[Wahab Mirco]

On 08.01.2019 05:07, Neena Susan Eappen wrote:
> Hello GROMACS users,
> To run GROMACS on Windows OS, what is the best shell interface? Cygwin? or anything else?

On Windows, nowadays (Windows 10) GROMACS is either
compiled and run:

  - as a native Windows program through the MS Visual Studio 2017
    x64 tool-chain and Windows-cmake (https://cmake.org/download/).
    This allows (in theory) for GPU accelerated runs (Nvidia CUDA)
    but appears broken since v.2018 (and v.2019 beta). Without
    CUDA, compilation and run worked flawlessly last time I checked.

  - within the Windows Subsystem for Linux (WSL) which provides
    a quasi-native Ubuntu 18.04 running on the Windows file system
    (https://docs.microsoft.com/en-us/windows/wsl/install-win10),
    and allows for a "standard Linux build". WSL also has a bash
    and every other tool available in Ubuntu.

M.