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lammps/src/KSPACE/fft3d.h
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fft3d.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
// User-settable FFT precision
// FFT_PRECISION = 1 is single-precision complex (4-byte real, 4-byte imag)
// FFT_PRECISION = 2 is double-precision complex (8-byte real, 8-byte imag)
#define FFT_PRECISION 2
// -------------------------------------------------------------------------
// Data types for single-precision complex
#if FFT_PRECISION == 1
#ifdef FFT_SGI
#include "fft.h"
typedef complex FFT_DATA;
#define FFT_1D cfft1d
#define FFT_1D_INIT cfft1di
extern "C" {
int cfft1d(int, int, FFT_DATA *, int, FFT_DATA *);
FFT_DATA *cfft1di(int, FFT_DATA *);
}
#endif
#ifdef FFT_SCSL
#include <scsl_fft.h>
typedef scsl_complex FFT_DATA;
typedef float FFT_PREC;
#define FFT_1D ccfft
#define FFT_1D_INIT ccfft
extern "C" {
int ccfft(int, int, FFT_PREC, FFT_DATA *, FFT_DATA *,
FFT_PREC *, FFT_PREC *, int *);
}
#endif
#ifdef FFT_INTEL
typedef struct {
float re;
float im;
} FFT_DATA;
#define FFT_1D cfft1d_
#define FFT_1D_INIT cfft1d_
extern "C" {
void cfft1d_(FFT_DATA *, int *, int *, FFT_DATA *);
}
#endif
#ifdef FFT_DEC
typedef struct {
float re;
float im;
} FFT_DATA;
#define FFT_1D cfft_
extern "C" {
void cfft_(char *, char *, char *, FFT_DATA *, FFT_DATA *, int *, int *);
}
#endif
#ifdef FFT_T3E
#include <complex.h>
typedef complex single FFT_DATA;
#define FFT_1D GGFFT
#define FFT_1D_INIT GGFFT
extern "C" {
void GGFFT(int *, int *, double *, FFT_DATA *, FFT_DATA *,
double *, double *, int *);
}
#endif
#ifdef FFT_FFTW
#include "fftw.h"
typedef FFTW_COMPLEX FFT_DATA;
#endif
#ifdef FFT_NONE
typedef struct {
float re;
float im;
} FFT_DATA;
#endif
#endif
// -------------------------------------------------------------------------
// Data types for double-precision complex
#if FFT_PRECISION == 2
#ifdef FFT_SGI
#include "fft.h"
typedef zomplex FFT_DATA;
#define FFT_1D zfft1d
#define FFT_1D_INIT zfft1di
extern "C" {
int zfft1d(int, int, FFT_DATA *, int, FFT_DATA *);
FFT_DATA *zfft1di(int, FFT_DATA *);
}
#endif
#ifdef FFT_SCSL
#include <scsl_fft.h>
typedef scsl_zomplex FFT_DATA;
typedef double FFT_PREC;
#define FFT_1D zzfft
#define FFT_1D_INIT zzfft
extern "C" {
int zzfft(int, int, FFT_PREC, FFT_DATA *, FFT_DATA *,
FFT_PREC *, FFT_PREC *, int *);
}
#endif
#ifdef FFT_INTEL
typedef struct {
double re;
double im;
} FFT_DATA;
#define FFT_1D zfft1d_
#define FFT_1D_INIT zfft1d_
extern "C" {
void zfft1d_(FFT_DATA *, int *, int *, FFT_DATA *);
}
#endif
#ifdef FFT_DEC
typedef struct {
double re;
double im;
} FFT_DATA;
#define FFT_1D zfft_
extern "C" {
void zfft_(char *, char *, char *, FFT_DATA *, FFT_DATA *, int *, int *);
}
#endif
#ifdef FFT_T3E
#include <complex.h>
typedef complex double FFT_DATA;
#define FFT_1D CCFFT
#define FFT_1D_INIT CCFFT
extern "C" {
void CCFFT(int *, int *, double *, FFT_DATA *, FFT_DATA *,
double *, double *, int *);
}
#endif
#ifdef FFT_FFTW
#include "fftw.h"
typedef FFTW_COMPLEX FFT_DATA;
#endif
#ifdef FFT_NONE
typedef struct {
double re;
double im;
} FFT_DATA;
#endif
#endif
// -------------------------------------------------------------------------
// details of how to do a 3d FFT
struct fft_plan_3d {
struct remap_plan_3d *pre_plan; // remap from input -> 1st FFTs
struct remap_plan_3d *mid1_plan; // remap from 1st -> 2nd FFTs
struct remap_plan_3d *mid2_plan; // remap from 2nd -> 3rd FFTs
struct remap_plan_3d *post_plan; // remap from 3rd FFTs -> output
FFT_DATA *copy; // memory for remap results (if needed)
FFT_DATA *scratch; // scratch space for remaps
int total1,total2,total3; // # of 1st,2nd,3rd FFTs (times length)
int length1,length2,length3; // length of 1st,2nd,3rd FFTs
int pre_target; // where to put remap results
int mid1_target,mid2_target;
int scaled; // whether to scale FFT results
int normnum; // # of values to rescale
double norm; // normalization factor for rescaling
// system specific 1d FFT info
#ifdef FFT_SGI
FFT_DATA *coeff1;
FFT_DATA *coeff2;
FFT_DATA *coeff3;
#endif
#ifdef FFT_SCSL
FFT_PREC *coeff1;
FFT_PREC *coeff2;
FFT_PREC *coeff3;
FFT_PREC *work1;
FFT_PREC *work2;
FFT_PREC *work3;
#endif
#ifdef FFT_INTEL
FFT_DATA *coeff1;
FFT_DATA *coeff2;
FFT_DATA *coeff3;
#endif
#ifdef FFT_T3E
double *coeff1;
double *coeff2;
double *coeff3;
double *work1;
double *work2;
double *work3;
#endif
#ifdef FFT_FFTW
fftw_plan plan_fast_forward;
fftw_plan plan_fast_backward;
fftw_plan plan_mid_forward;
fftw_plan plan_mid_backward;
fftw_plan plan_slow_forward;
fftw_plan plan_slow_backward;
#endif
};
// function prototypes
void fft_3d(FFT_DATA *, FFT_DATA *, int, struct fft_plan_3d *);
struct fft_plan_3d *fft_3d_create_plan(MPI_Comm, int, int, int,
int, int, int, int, int, int, int, int, int, int, int, int,
int, int, int *);
void fft_3d_destroy_plan(struct fft_plan_3d *);
void factor(int, int *, int *);
void bifactor(int, int *, int *);
void fft_1d_only(FFT_DATA *, int, int, struct fft_plan_3d *);
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