Error out if using FFTW on GPUs (739097f3) · Commits · 郑智淋 / lammps

src/KOKKOS/fft3d_kokkos.cpp

+13 −2

Original line number	Diff line number	Diff line
		@@ -11,6 +11,10 @@
		See the README file in the top-level LAMMPS directory.
		------------------------------------------------------------------------- */

		/* ----------------------------------------------------------------------
		Contributing authors: Stan Moore (SNL), Sam Mish (U.C. Davis)
		------------------------------------------------------------------------- */

		#include <mpi.h>
		#include <stdio.h>
		#include <stdlib.h>
		@@ -36,6 +40,13 @@ FFT3dKokkos<DeviceType>::FFT3dKokkos(LAMMPS *lmp, MPI_Comm comm, int nfast, int
		Pointers(lmp)
		{
		int nthreads = lmp->kokkos->nthreads;
		int ngpus = lmp->kokkos->ngpus;

		#if defined(FFT_FFTW3)
		if (ngpus > 0)
		lmp->error->all(FLERR,"Cannot use the FFTW library with Kokkos CUDA");
		#endif

		plan = fft_3d_create_plan_kokkos(comm,nfast,nmid,nslow,
		in_ilo,in_ihi,in_jlo,in_jhi,in_klo,in_khi,
		out_ilo,out_ihi,out_jlo,out_jhi,out_klo,out_khi,
		@@ -596,8 +607,8 @@ struct fft_plan_3d_kokkos<DeviceType>* FFT3dKokkos<DeviceType>::fft_3d_create_pl
		// and scaling normalization

		#if defined(FFT_FFTW3)
		// if (nthreads > 1)
		// fftw_plan_with_nthreads(nthreads);
		if (nthreads > 1)
		fftw_plan_with_nthreads(nthreads);

		plan->plan_fast_forward =
		fftw_plan_many_dft(1, &nfast,plan->total1/plan->length1,

+5 −0

Original line number	Diff line number	Diff line
		@@ -135,4 +135,9 @@ 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

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

		*/