Reduce compiler warnings and fix a few issues (f34c899a) · Commits · 郑智淋 / lammps

src/KOKKOS/fft3d_kokkos.cpp

+20 −35

Original line number	Diff line number	Diff line
		@@ -43,9 +43,9 @@ 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)
		int ngpus = lmp->kokkos->ngpus;
		if (ngpus > 0)
		lmp->error->all(FLERR,"Cannot use the FFTW library with Kokkos CUDA");
		#endif
		@@ -187,19 +187,13 @@ public:
		};
		#endif

		const int forward = 0;
		const int backward = 1;

		template<class DeviceType>
		void FFT3dKokkos<DeviceType>::fft_3d_kokkos(typename ArrayTypes<DeviceType>::t_FFT_DATA_1d d_in, typename ArrayTypes<DeviceType>::t_FFT_DATA_1d d_out, int flag, struct fft_plan_3d_kokkos<DeviceType> *plan)
		{
		int i,total,length,offset,num,dim;
		FFT_SCALAR norm;
		int total,length;
		typename ArrayTypes<DeviceType>::t_FFT_DATA_1d d_data,d_copy;
		typename ArrayTypes<DeviceType>::t_FFT_SCALAR_1d d_in_scalar,d_data_scalar,d_out_scalar,d_copy_scalar,d_scratch_scalar;

		int dir = (flag == -1) ? forward : backward;

		// pre-remap to prepare for 1st FFTs if needed
		// copy = loc for remap result

		@@ -221,7 +215,6 @@ void FFT3dKokkos<DeviceType>::fft_3d_kokkos(typename ArrayTypes<DeviceType>::t_F

		total = plan->total1;
		length = plan->length1;
		dim = 0;

		#if defined(FFT_FFTW3)
		if (flag == -1)
		@@ -262,7 +255,6 @@ void FFT3dKokkos<DeviceType>::fft_3d_kokkos(typename ArrayTypes<DeviceType>::t_F

		total = plan->total2;
		length = plan->length2;
		dim = 1;

		#if defined(FFT_FFTW3)
		if (flag == -1)
		@@ -300,7 +292,6 @@ void FFT3dKokkos<DeviceType>::fft_3d_kokkos(typename ArrayTypes<DeviceType>::t_F

		total = plan->total3;
		length = plan->length3;
		dim = 2;

		#if defined(FFT_FFTW3)
		if (flag == -1)
		@@ -336,14 +327,14 @@ void FFT3dKokkos<DeviceType>::fft_3d_kokkos(typename ArrayTypes<DeviceType>::t_F
		// scaling if required

		if (flag == 1 && plan->scaled) {
		norm = plan->norm;
		num = plan->normnum;
		int norm = plan->norm;
		FFT_SCALAR num = plan->normnum;
		#if defined(FFT_CUFFT)
		typename ArrayTypes<DeviceType>::t_FFT_SCALAR_1d d_norm_scalar =
		typename ArrayTypes<DeviceType>::t_FFT_SCALAR_1d(d_data.data(),d_data.size());
		cufft_norm_functor<DeviceType> f(d_norm_scalar,norm);
		Kokkos::parallel_for(num,f);
		#elif defined(FFT_KISFFT)
		#elif defined(FFT_KISSFFT)
		kiss_norm_functor<DeviceType> f(d_out,norm);
		Kokkos::parallel_for(num,f);
		#endif
		@@ -384,13 +375,12 @@ struct fft_plan_3d_kokkos<DeviceType>* FFT3dKokkos<DeviceType>::fft_3d_create_pl
		{
		struct fft_plan_3d_kokkos<DeviceType> *plan;
		int me,nprocs;
		int i,num,flag,remapflag,fftflag;
		int flag,remapflag;
		int first_ilo,first_ihi,first_jlo,first_jhi,first_klo,first_khi;
		int second_ilo,second_ihi,second_jlo,second_jhi,second_klo,second_khi;
		int third_ilo,third_ihi,third_jlo,third_jhi,third_klo,third_khi;
		int out_size,first_size,second_size,third_size,copy_size,scratch_size;
		int np1,np2,ip1,ip2;
		int list[50];

		// query MPI info

		@@ -753,8 +743,6 @@ template<class DeviceType>
		void FFT3dKokkos<DeviceType>::fft_3d_1d_only_kokkos(typename ArrayTypes<DeviceType>::t_FFT_DATA_1d d_data, int nsize, int flag,
		struct fft_plan_3d_kokkos<DeviceType> *plan)
		{
		int i,total,length,offset,num;

		// total = size of data needed in each dim
		// length = length of 1d FFT in each dim
		// total/length = # of 1d FFTs in each dim
		@@ -777,10 +765,7 @@ void FFT3dKokkos<DeviceType>::fft_3d_1d_only_kokkos(typename ArrayTypes<DeviceTy
		// perform 1d FFTs in each of 3 dimensions
		// data is just an array of 0.0

		int dir = (flag == 1) ? forward : backward;

		#if defined(FFT_FFTW3)
		for (int dim = 0; dim < 3; dim++)
		if (flag == -1) {
		fftw_execute_dft(plan->plan_fast_forward,(FFT_DATA)d_data.data(),(FFT_DATA)d_data.data());
		fftw_execute_dft(plan->plan_mid_forward,(FFT_DATA)d_data.data(),(FFT_DATA)d_data.data());
		@@ -823,13 +808,13 @@ void FFT3dKokkos<DeviceType>::fft_3d_1d_only_kokkos(typename ArrayTypes<DeviceTy

		if (flag == 1 && plan->scaled) {
		FFT_SCALAR norm = plan->norm;
		num = MIN(plan->normnum,nsize);
		int num = MIN(plan->normnum,nsize);
		#if defined(FFT_CUFFT)
		typename ArrayTypes<DeviceType>::t_FFT_SCALAR_1d d_norm_scalar =
		typename ArrayTypes<DeviceType>::t_FFT_SCALAR_1d(d_data.data(),d_data.size());
		cufft_norm_functor<DeviceType> f(d_norm_scalar,norm);
		Kokkos::parallel_for(num,f);
		#elif defined(FFT_KISFFT)
		#elif defined(FFT_KISSFFT)
		kiss_norm_functor<DeviceType> f(d_data,norm);
		Kokkos::parallel_for(num,f);
		#endif

src/KOKKOS/kissfft_kokkos.h

+10 −9

Original line number	Diff line number	Diff line
		@@ -79,7 +79,7 @@
		C_SUBFROM( res , a) : res -= a
		C_ADDTO( res , a) : res += a
		C_EQ( res , a) : res = a

		*/

		#define S_MUL(a,b) ( (a)*(b) )

		@@ -87,6 +87,7 @@
		do{ (m)[0] = (a)(a_index,0)(b)(b_index,0) - (a)(a_index,1)(b)(b_index,1);\
		(m)[1] = (a)(a_index,0)(b)(b_index,1) + (a)(a_index,1)(b)(b_index,0); }while(0)

		/*
		#define C_FIXDIV(c,div) // NOOP

		#define C_MULBYSCALAR( c, s ) \
		@@ -526,15 +527,15 @@ class KissFFTKokkos {
		KOKKOS_INLINE_FUNCTION
		static void kiss_fft_stride(const kiss_fft_state_kokkos<DeviceType> &st, const typename AT::t_FFT_DATA_1d_um &d_fin, typename AT::t_FFT_DATA_1d_um &d_fout, int in_stride, int offset)
		{
		if (d_fin.data() == d_fout.data()) {
		// NOTE: this is not really an in-place FFT algorithm.
		// It just performs an out-of-place FFT into a temp buffer
		typename AT::t_FFT_DATA_1d d_tmpbuf = typename AT::t_FFT_DATA_1d("kissfft:tmpbuf",d_fin.extent(1));
		kf_work(d_tmpbuf,d_fin,1,in_stride,st.d_factors,st,offset,offset,0);
		Kokkos::deep_copy(d_fout,d_tmpbuf);
		} else {
		//if (d_fin.data() == d_fout.data()) {
		// // NOTE: this is not really an in-place FFT algorithm.
		// // It just performs an out-of-place FFT into a temp buffer
		// typename AT::t_FFT_DATA_1d_um d_tmpbuf = typename AT::t_FFT_DATA_1d("kissfft:tmpbuf",d_fin.extent(1));
		// kf_work(d_tmpbuf,d_fin,1,in_stride,st.d_factors,st,offset,offset,0);
		// Kokkos::deep_copy(d_fout,d_tmpbuf);
		//} else {
		kf_work(d_fout,d_fin,1,in_stride,st.d_factors,st,offset,offset,0);
		}
		//}
		}

		KOKKOS_INLINE_FUNCTION

Admin message