Error out if using cuFFT with Kokkos CUDA on host CPUs (9f40899a) · Commits · 郑智淋 / lammps

src/KOKKOS/fft3d_kokkos.cpp

+7 −4

Original line number	Diff line number	Diff line
		@@ -43,11 +43,15 @@ FFT3dKokkos<DeviceType>::FFT3dKokkos(LAMMPS *lmp, MPI_Comm comm, int nfast, int
		Pointers(lmp)
		{
		int nthreads = lmp->kokkos->nthreads;
		int ngpus = lmp->kokkos->ngpus;
		ExecutionSpace execution_space = ExecutionSpaceFromDevice<DeviceType>::space;

		#if defined(FFT_FFTW3)
		int ngpus = lmp->kokkos->ngpus;
		if (ngpus > 0)
		lmp->error->all(FLERR,"Cannot use the FFTW library with Kokkos CUDA");
		if (ngpus > 0 && execution_space == Device)
		lmp->error->all(FLERR,"Cannot use the FFTW library with Kokkos CUDA on GPUs");
		#elif defined(FFT_CUFFT)
		if (ngpus > 0 && execution_space == Host)
		lmp->error->all(FLERR,"Cannot use the cuFFT library with Kokkos CUDA on the host CPUs");
		#endif

		plan = fft_3d_create_plan_kokkos(comm,nfast,nmid,nslow,
		@@ -339,7 +343,6 @@ void FFT3dKokkos<DeviceType>::fft_3d_kokkos(typename ArrayTypes<DeviceType>::t_F
		Kokkos::parallel_for(num,f);
		#endif
		}

		}

		/* ----------------------------------------------------------------------

+8 −3

Original line number	Diff line number	Diff line
		@@ -135,9 +135,14 @@ The FFT setup for the PPPM solver failed, typically due
		to lack of memory. This is an unusual error. Check the
		size of the FFT grid you are requesting.

		E: Cannot use the FFTW library with Kokkos CUDA
		E: Cannot use the FFTW library with Kokkos CUDA on GPUs

		Kokkos CUDA doesn't support using the FFTW library to
		calculate FFTs for PPPM on GPUs.
		Kokkos CUDA doesn't support using the FFTW library to calculate FFTs for
		PPPM on GPUs.

		E: Cannot use the cuFFT library with Kokkos CUDA on the host CPUs

		Kokkos CUDA doesn't support using the cuFFT library to calculate FFTs
		for PPPM on the host CPUs, use KISS FFT instead.

		*/