diff --git a/src/KOKKOS/fftdata_kokkos.h b/src/KOKKOS/fftdata_kokkos.h index c0a223478c..f994639106 100644 --- a/src/KOKKOS/fftdata_kokkos.h +++ b/src/KOKKOS/fftdata_kokkos.h @@ -27,54 +27,6 @@ // ------------------------------------------------------------------------- -// with KOKKOS in CUDA or HIP mode we can only have -// CUFFT/HIPFFT or KISSFFT, thus undefine all other -// FFTs here, since they may be valid in fft3d.cpp - -#ifdef KOKKOS_ENABLE_CUDA -# if defined(FFT_KOKKOS_FFTW) -# undef FFT_KOKKOS_FFTW -# endif -# if defined(FFT_KOKKOS_FFTW3) -# undef FFT_KOKKOS_FFTW3 -# endif -# if defined(FFT_KOKKOS_MKL) -# undef FFT_KOKKOS_MKL -# endif -# if !defined(FFT_KOKKOS_CUFFT) && !defined(FFT_KOKKOS_KISSFFT) -# define FFT_KOKKOS_KISSFFT -# endif -#elif defined(KOKKOS_ENABLE_HIP) -# if defined(FFT_KOKKOS_FFTW) -# undef FFT_KOKKOS_FFTW -# endif -# if defined(FFT_KOKKOS_FFTW3) -# undef FFT_KOKKOS_FFTW3 -# endif -# if defined(FFT_KOKKOS_MKL) -# undef FFT_KOKKOS_MKL -# endif -# if !defined(FFT_KOKKOS_HIPFFT) && !defined(FFT_KOKKOS_KISSFFT) -# define FFT_KOKKOS_KISSFFT -# endif -#else -# if defined(FFT_KOKKOS_CUFFT) -# error "Must enable CUDA with KOKKOS to use -DFFT_KOKKOS_CUFFT" -# endif -# if defined(FFT_KOKKOS_HIPFFT) -# error "Must enable HIP with KOKKOS to use -DFFT_KOKKOS_HIPFFT" -# endif -// if user set FFTW, it means FFTW3 -# ifdef FFT_KOKKOS_FFTW -# define FFT_KOKKOS_FFTW3 -# endif -# ifdef FFT_KOKKOS_FFTW_THREADS -# if !defined(FFT_KOKKOS_FFTW3) -# error "Must use -DFFT_KOKKOS_FFTW3 with -DFFT_KOKKOS_FFTW_THREADS" -# endif -# endif -#endif - #if defined(FFT_KOKKOS_MKL) #include "mkl_dfti.h" #if defined(FFT_SINGLE) diff --git a/src/lmpfftsettings.h b/src/lmpfftsettings.h index 56314bf9c5..b1a4cffa00 100644 --- a/src/lmpfftsettings.h +++ b/src/lmpfftsettings.h @@ -26,12 +26,15 @@ #endif #ifdef LMP_KOKKOS -#ifdef FFT_KOKKOS_FFTW -#ifndef FFT_KOKKOS_FFTW3 -#undef FFT_KOKKOS_FFTW -#define FFT_KOKKOS_FFTW3 -#endif -#endif +# ifdef FFT_KOKKOS_FFTW +# undef FFT_KOKKOS_FFTW +# define FFT_KOKKOS_FFTW3 +# endif +# ifdef FFT_KOKKOS_FFTW_THREADS +# if !defined(FFT_KOKKOS_FFTW3) +# error "Must use -DFFT_KOKKOS_FFTW3 with -DFFT_KOKKOS_FFTW_THREADS" +# endif +# endif #endif // set strings for library info output @@ -58,7 +61,9 @@ #ifdef LMP_KOKKOS -// fix up FFT defines for KOKKOS with CUDA and HIP +// with KOKKOS in CUDA or HIP mode we can only have +// CUFFT/HIPFFT or KISSFFT, thus undefine all other +// FFTs here #ifdef KOKKOS_ENABLE_CUDA # if defined(FFT_KOKKOS_FFTW) @@ -86,6 +91,13 @@ # if !defined(FFT_KOKKOS_HIPFFT) && !defined(FFT_KOKKOS_KISSFFT) # define FFT_KOKKOS_KISSFFT # endif +#else +# if defined(FFT_KOKKOS_CUFFT) +# error "Must enable CUDA with KOKKOS to use -DFFT_KOKKOS_CUFFT" +# endif +# if defined(FFT_KOKKOS_HIPFFT) +# error "Must enable HIP with KOKKOS to use -DFFT_KOKKOS_HIPFFT" +# endif #endif #if defined(FFT_KOKKOS_CUFFT)