Unable to use OpenCL with gromacs

How do i troubleshoot this error? I’m compiling for gromacs 2020.2 on windows using Cmake and visual studio.


Can’t seem to find any info on that c1fft item.

The clFFT being used is https://github.com/clMathLibraries/clFFT. This is documented here: https://gitlab.com/gromacs/gromacs/-/blob/master/src/external/clFFT/README.Gromacs.

The easy solutions are listed in the last sentence of the error. If you want to use Visual Studio the easiest would be to install clFFT with vcpkg and then use GMX_EXTERNAL_CLFFT.

Im having difficulty installing c1fft with vcpkg.

I have downloaded the files for vcpkg and c1fft, and im following this website: https://docs.microsoft.com/en-us/cpp/build/vcpkg?view=vs-2019

First command i input is ‘bootstrap-vcpkg.bat’, followed by ‘vcpkg install’.
And i got this error: Error: Cannot find definition for package c1fft.

How does vcpkg know where to find the c1fft folder? I don’t understand how to reference it in the command line.

Another question, whats the purpose of downloading c1fft separately when there is a c1fft folder in vcpkg itself?