GROMACS

Hi,

Aim: Compile Gromacs 2018.1 with GPU support on Windows 7

Problem:

VS 2015 build failed with error message (see attached image - vs_output.png).
The file libgromacs_generated_nbnxn_cuda.cu.obj.Release.cmake in line 223 tries to compile libgromacs_generated_nbnxn_cuda.cu.obj.NVCC-depend using nvcc but failed.
I tried compiling the file manually (see attached image - command.png) and it generated the NVCC-depend file successfully. The compilation command I used was echo-ed from CMake itself (with minor changes, eg, adding quotes in paths with spaces).

Notes:
1. I had issue generating the VS sln from CMake initially. I had to add quotes around the value of CUDA_TOOLKIT_ROOT_DIR in CMake because CUDA was installed in Program Files (space in path). Afterwards, CMake ran successfully.

The system specs I'm using:

• Windows 7
• VS 2015 * VS 2015 developer prompt to manually compile the file CMake was trying to compile
• CMake 3.11 GUI
• CUDA v9.1 - I've verified my CUDA installation with the provided build examples.
• Graphics card: GTX 1080

Thanks,
Harry.