How to compile DLA-Future

[Schroedingers0216]

I want to integrate DLA-Future into CP2K, but I'm unable to install it using Spack. I've tried compiling from source by referring to the documentation at https://github.com/eth-cscs/DLA-Future/blob/master/BUILD.md, but the compilation process is too complex due to numerous dependency libraries, and I haven't been successful. Could you please provide a detailed compilation process? rocm gfx906

[msimberg]

Hi, as before we recommend using spack for the build, especially when targeting GPUs. In your case you'll probably want to have a spec in the direction of dla-future +rocm amdgpu_target=gfx906 to make sure you're compiling with HIP support and for the right architecture (with additional variants and dependencies set according to your needs). Something like spack install dla-future +rocm amdgpu_target=gfx906 +miniapps should literally just work, modulo unforeseen compilation issues in dependencies etc. The exact details of what spec to use will also depend on what network, compilers, MPI implementation you have available on your system.

Can you be more explicit about what issue you're having? If you have more questions about using spack itself (installing dependencies, configuring HIP from the system, etc.) I recommend joining spack's slack space and/or posting issues on spack's github repo. If you get all dependencies of DLA-Future built, but you're getting compilation errors from DLA-Future itself, please post the logs here (gist.github.com or similar if logs are long).