Original work: https://github.com/FitSNAP/TestSNAP/tree/master
Implementation based on: https://github.com/FitSNAP/TestSNAP/tree/OpenMP4.5
- AMD clang version 18.0.0 (ROCM 6.2.0)
- nvc++ 22.11-0
mkdir build_cuda && cd build_cuda
cmake -S .. -B . -Dref_data=14 -DCMAKE_CXX_COMPILER=nvc++ -DCMAKE_CXX_COMPILER_ID=NVHPC
cmake --build .
./test_snap
mkdir build_hip && cd build_hip
cmake -S .. -B . -Dref_data=14 -DCMAKE_CXX_COMPILER=amdclang++ -DCMAKE_CXX_COMPILER_ID=HIP
cmake --build .
./test_snap