make KOKKOS and KSPACE FFT3d code more consistent and remove redundant code (0d0c5e29) · Commits · 郑智淋 / lammps

src/KOKKOS/fft3d_kokkos.cpp

+6 −31

Original line number	Diff line number	Diff line
		@@ -147,11 +147,11 @@ public:

		KOKKOS_INLINE_FUNCTION
		void operator() (const int &i) const {
		#if defined(FFT_FFTW3) \|\| defined(FFT_CUFFT) \|\| defined(FFT_MKL)
		#if defined(FFT_FFTW3) \|\| defined(FFT_CUFFT)
		FFT_SCALAR* out_ptr = (FFT_SCALAR *)(d_out.data()+i);
		(out_ptr++) = norm;
		(out_ptr++) = norm;
		#else
		#else /* FFT_MKL or FFT_KISS */
		d_out(i,0) *= norm;
		d_out(i,1) *= norm;
		#endif
		@@ -634,15 +634,6 @@ struct fft_plan_3d_kokkos<DeviceType>* FFT3dKokkos<DeviceType>::fft_3d_create_pl
		#endif
		DftiCommitDescriptor(plan->handle_slow);

		if (scaled == 0)
		plan->scaled = 0;
		else {
		plan->scaled = 1;
		plan->norm = 1.0/(nfastnmidnslow);
		plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
		(out_khi-out_klo+1);
		}

		#elif defined(FFT_FFTW3)

		#if defined (FFT_FFTW_THREADS)
		@@ -689,16 +680,8 @@ struct fft_plan_3d_kokkos<DeviceType>* FFT3dKokkos<DeviceType>::fft_3d_create_pl
		NULL,&nslow,1,plan->length3,
		FFTW_BACKWARD,FFTW_ESTIMATE);

		if (scaled == 0)
		plan->scaled = 0;
		else {
		plan->scaled = 1;
		plan->norm = 1.0/(nfastnmidnslow);
		plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
		(out_khi-out_klo+1);
		}

		#elif defined(FFT_CUFFT)

		cufftPlanMany(&(plan->plan_fast), 1, &nfast,
		&nfast,1,plan->length1,
		&nfast,1,plan->length1,
		@@ -714,16 +697,8 @@ struct fft_plan_3d_kokkos<DeviceType>* FFT3dKokkos<DeviceType>::fft_3d_create_pl
		&nslow,1,plan->length3,
		CUFFT_TYPE,plan->total3/plan->length3);

		if (scaled == 0)
		plan->scaled = 0;
		else {
		plan->scaled = 1;
		plan->norm = 1.0/(nfastnmidnslow);
		plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
		(out_khi-out_klo+1);
		}
		#else /* FFT_KISS */

		#else
		kissfftKK = new KissFFTKokkos<DeviceType>();

		plan->cfg_fast_forward = KissFFTKokkos<DeviceType>::kiss_fft_alloc_kokkos(nfast,0,NULL,NULL);
		@@ -751,6 +726,8 @@ struct fft_plan_3d_kokkos<DeviceType>* FFT3dKokkos<DeviceType>::fft_3d_create_pl
		plan->cfg_slow_backward = KissFFTKokkos<DeviceType>::kiss_fft_alloc_kokkos(nslow,1,NULL,NULL);
		}

		#endif

		if (scaled == 0)
		plan->scaled = 0;
		else {
		@@ -760,8 +737,6 @@ struct fft_plan_3d_kokkos<DeviceType>* FFT3dKokkos<DeviceType>::fft_3d_create_pl
		(out_khi-out_klo+1);
		}

		#endif

		return plan;
		}

src/KSPACE/fft3d.cpp

+5 −21

Original line number	Diff line number	Diff line
		@@ -210,7 +210,7 @@ void fft_3d(FFT_DATA in, FFT_DATA out, int flag, struct fft_plan_3d *plan)
		(out_ptr++) = norm;
		#elif defined(FFT_MKL)
		out[i] *= norm;
		#else
		#else /* FFT_KISS */
		out[i].re *= norm;
		out[i].im *= norm;
		#endif
		@@ -516,15 +516,6 @@ struct fft_plan_3d *fft_3d_create_plan(
		#endif
		DftiCommitDescriptor(plan->handle_slow);

		if (scaled == 0)
		plan->scaled = 0;
		else {
		plan->scaled = 1;
		plan->norm = 1.0/(nfastnmidnslow);
		plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
		(out_khi-out_klo+1);
		}

		#elif defined(FFT_FFTW3)
		#if defined(FFT_FFTW_THREADS)
		if (nthreads > 1) {
		@@ -564,15 +555,8 @@ struct fft_plan_3d *fft_3d_create_plan(
		NULL,&nslow,1,plan->length3,
		FFTW_BACKWARD,FFTW_ESTIMATE);

		if (scaled == 0)
		plan->scaled = 0;
		else {
		plan->scaled = 1;
		plan->norm = 1.0/(nfastnmidnslow);
		plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
		(out_khi-out_klo+1);
		}
		#else
		#else /* FFT_KISS */

		plan->cfg_fast_forward = kiss_fft_alloc(nfast,0,NULL,NULL);
		plan->cfg_fast_backward = kiss_fft_alloc(nfast,1,NULL,NULL);

		@@ -598,6 +582,8 @@ struct fft_plan_3d *fft_3d_create_plan(
		plan->cfg_slow_backward = kiss_fft_alloc(nslow,1,NULL,NULL);
		}

		#endif

		if (scaled == 0)
		plan->scaled = 0;
		else {
		@@ -607,8 +593,6 @@ struct fft_plan_3d *fft_3d_create_plan(
		(out_khi-out_klo+1);
		}

		#endif

		return plan;
		}

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