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lammps/src/KSPACE/fft3d.cpp

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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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Jim Shepherd (GA Tech) added SGI SCSL support
Axel Kohlmeyer (Temple U) added support for
FFTW3, KISSFFT, Dfti/MKL, and ACML.
Phil Blood (PSC) added single precision FFT.
Paul Coffman (IBM) added MPI collectives remap
------------------------------------------------------------------------- */
#include <mpi.h>
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "fft3d.h"
#include "remap.h"
#ifdef FFT_KISSFFT
/* include kissfft implementation */
#include "kissfft.h"
#endif
#define MIN(A,B) ((A) < (B) ? (A) : (B))
#define MAX(A,B) ((A) > (B) ? (A) : (B))
/* ----------------------------------------------------------------------
Data layout for 3d FFTs:
data set of Nfast x Nmid x Nslow elements is owned by P procs
on input, each proc owns a subsection of the elements
on output, each proc will own a (possibly different) subsection
my subsection must not overlap with any other proc's subsection,
i.e. the union of all proc's input (or output) subsections must
exactly tile the global Nfast x Nmid x Nslow data set
when called from C, all subsection indices are
C-style from 0 to N-1 where N = Nfast or Nmid or Nslow
when called from F77, all subsection indices are
F77-style from 1 to N where N = Nfast or Nmid or Nslow
a proc can own 0 elements on input or output
by specifying hi index < lo index
on both input and output, data is stored contiguously on a processor
with a fast-varying, mid-varying, and slow-varying index
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Perform 3d FFT
Arguments:
in starting address of input data on this proc
out starting address of where output data for this proc
will be placed (can be same as in)
flag 1 for forward FFT, -1 for inverse FFT
plan plan returned by previous call to fft_3d_create_plan
------------------------------------------------------------------------- */
void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
{
int i,total,length,offset,num;
FFT_SCALAR norm;
#if defined(FFT_FFTW3)
FFT_SCALAR *out_ptr;
#endif
FFT_DATA *data,*copy;
// system specific constants
#if defined(FFT_SCSL)
int isys = 0;
FFT_PREC scalef = 1.0;
#elif defined(FFT_DEC)
char c = 'C';
char f = 'F';
char b = 'B';
int one = 1;
#elif defined(FFT_T3E)
int isys = 0;
double scalef = 1.0;
#elif defined(FFT_ACML)
int info;
#elif defined(FFT_FFTW3)
FFTW_API(plan) theplan;
#else
// nothing to do for other FFTs.
#endif
// pre-remap to prepare for 1st FFTs if needed
// copy = loc for remap result
if (plan->pre_plan) {
if (plan->pre_target == 0) copy = out;
else copy = plan->copy;
remap_3d((FFT_SCALAR *) in, (FFT_SCALAR *) copy, (FFT_SCALAR *) plan->scratch,
plan->pre_plan);
data = copy;
}
else
data = in;
// 1d FFTs along fast axis
total = plan->total1;
length = plan->length1;
#if defined(FFT_SGI)
for (offset = 0; offset < total; offset += length)
FFT_1D(flag,length,&data[offset],1,plan->coeff1);
#elif defined(FFT_SCSL)
for (offset = 0; offset < total; offset += length)
FFT_1D(flag,length,scalef,&data[offset],&data[offset],plan->coeff1,
plan->work1,&isys);
#elif defined(FFT_ACML)
num=total/length;
FFT_1D(&flag,&num,&length,data,plan->coeff1,&info);
#elif defined(FFT_INTEL)
for (offset = 0; offset < total; offset += length)
FFT_1D(&data[offset],&length,&flag,plan->coeff1);
#elif defined(FFT_MKL)
if (flag == -1)
DftiComputeForward(plan->handle_fast,data);
else
DftiComputeBackward(plan->handle_fast,data);
#elif defined(FFT_DEC)
if (flag == -1)
for (offset = 0; offset < total; offset += length)
FFT_1D(&c,&c,&f,&data[offset],&data[offset],&length,&one);
else
for (offset = 0; offset < total; offset += length)
FFT_1D(&c,&c,&b,&data[offset],&data[offset],&length,&one);
#elif defined(FFT_T3E)
for (offset = 0; offset < total; offset += length)
FFT_1D(&flag,&length,&scalef,&data[offset],&data[offset],plan->coeff1,
plan->work1,&isys);
#elif defined(FFT_FFTW2)
if (flag == -1)
fftw(plan->plan_fast_forward,total/length,data,1,length,NULL,0,0);
else
fftw(plan->plan_fast_backward,total/length,data,1,length,NULL,0,0);
#elif defined(FFT_FFTW3)
if (flag == -1)
theplan=plan->plan_fast_forward;
else
theplan=plan->plan_fast_backward;
FFTW_API(execute_dft)(theplan,data,data);
#else
if (flag == -1)
for (offset = 0; offset < total; offset += length)
kiss_fft(plan->cfg_fast_forward,&data[offset],&data[offset]);
else
for (offset = 0; offset < total; offset += length)
kiss_fft(plan->cfg_fast_backward,&data[offset],&data[offset]);
#endif
// 1st mid-remap to prepare for 2nd FFTs
// copy = loc for remap result
if (plan->mid1_target == 0) copy = out;
else copy = plan->copy;
remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) copy, (FFT_SCALAR *) plan->scratch,
plan->mid1_plan);
data = copy;
// 1d FFTs along mid axis
total = plan->total2;
length = plan->length2;
#if defined(FFT_SGI)
for (offset = 0; offset < total; offset += length)
FFT_1D(flag,length,&data[offset],1,plan->coeff2);
#elif defined(FFT_SCSL)
for (offset = 0; offset < total; offset += length)
FFT_1D(flag,length,scalef,&data[offset],&data[offset],plan->coeff2,
plan->work2,&isys);
#elif defined(FFT_ACML)
num=total/length;
FFT_1D(&flag,&num,&length,data,plan->coeff2,&info);
#elif defined(FFT_INTEL)
for (offset = 0; offset < total; offset += length)
FFT_1D(&data[offset],&length,&flag,plan->coeff2);
#elif defined(FFT_MKL)
if (flag == -1)
DftiComputeForward(plan->handle_mid,data);
else
DftiComputeBackward(plan->handle_mid,data);
#elif defined(FFT_DEC)
if (flag == -1)
for (offset = 0; offset < total; offset += length)
FFT_1D(&c,&c,&f,&data[offset],&data[offset],&length,&one);
else
for (offset = 0; offset < total; offset += length)
FFT_1D(&c,&c,&b,&data[offset],&data[offset],&length,&one);
#elif defined(FFT_T3E)
for (offset = 0; offset < total; offset += length)
FFT_1D(&flag,&length,&scalef,&data[offset],&data[offset],plan->coeff2,
plan->work2,&isys);
#elif defined(FFT_FFTW2)
if (flag == -1)
fftw(plan->plan_mid_forward,total/length,data,1,length,NULL,0,0);
else
fftw(plan->plan_mid_backward,total/length,data,1,length,NULL,0,0);
#elif defined(FFT_FFTW3)
if (flag == -1)
theplan=plan->plan_mid_forward;
else
theplan=plan->plan_mid_backward;
FFTW_API(execute_dft)(theplan,data,data);
#else
if (flag == -1)
for (offset = 0; offset < total; offset += length)
kiss_fft(plan->cfg_mid_forward,&data[offset],&data[offset]);
else
for (offset = 0; offset < total; offset += length)
kiss_fft(plan->cfg_mid_backward,&data[offset],&data[offset]);
#endif
// 2nd mid-remap to prepare for 3rd FFTs
// copy = loc for remap result
if (plan->mid2_target == 0) copy = out;
else copy = plan->copy;
remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) copy, (FFT_SCALAR *) plan->scratch,
plan->mid2_plan);
data = copy;
// 1d FFTs along slow axis
total = plan->total3;
length = plan->length3;
#if defined(FFT_SGI)
for (offset = 0; offset < total; offset += length)
FFT_1D(flag,length,&data[offset],1,plan->coeff3);
#elif defined(FFT_SCSL)
for (offset = 0; offset < total; offset += length)
FFT_1D(flag,length,scalef,&data[offset],&data[offset],plan->coeff3,
plan->work3,&isys);
#elif defined(FFT_ACML)
num=total/length;
FFT_1D(&flag,&num,&length,data,plan->coeff3,&info);
#elif defined(FFT_INTEL)
for (offset = 0; offset < total; offset += length)
FFT_1D(&data[offset],&length,&flag,plan->coeff3);
#elif defined(FFT_MKL)
if (flag == -1)
DftiComputeForward(plan->handle_slow,data);
else
DftiComputeBackward(plan->handle_slow,data);
#elif defined(FFT_DEC)
if (flag == -1)
for (offset = 0; offset < total; offset += length)
FFT_1D(&c,&c,&f,&data[offset],&data[offset],&length,&one);
else
for (offset = 0; offset < total; offset += length)
FFT_1D(&c,&c,&b,&data[offset],&data[offset],&length,&one);
#elif defined(FFT_T3E)
for (offset = 0; offset < total; offset += length)
FFT_1D(&flag,&length,&scalef,&data[offset],&data[offset],plan->coeff3,
plan->work3,&isys);
#elif defined(FFT_FFTW2)
if (flag == -1)
fftw(plan->plan_slow_forward,total/length,data,1,length,NULL,0,0);
else
fftw(plan->plan_slow_backward,total/length,data,1,length,NULL,0,0);
#elif defined(FFT_FFTW3)
if (flag == -1)
theplan=plan->plan_slow_forward;
else
theplan=plan->plan_slow_backward;
FFTW_API(execute_dft)(theplan,data,data);
#else
if (flag == -1)
for (offset = 0; offset < total; offset += length)
kiss_fft(plan->cfg_slow_forward,&data[offset],&data[offset]);
else
for (offset = 0; offset < total; offset += length)
kiss_fft(plan->cfg_slow_backward,&data[offset],&data[offset]);
#endif
// post-remap to put data in output format if needed
// destination is always out
if (plan->post_plan)
remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) out, (FFT_SCALAR *) plan->scratch,
plan->post_plan);
// scaling if required
#if !defined(FFT_T3E) && !defined(FFT_ACML)
if (flag == 1 && plan->scaled) {
norm = plan->norm;
num = plan->normnum;
#if defined(FFT_FFTW3)
out_ptr = (FFT_SCALAR *)out;
#endif
for (i = 0; i < num; i++) {
#if defined(FFT_FFTW3)
*(out_ptr++) *= norm;
*(out_ptr++) *= norm;
#elif defined(FFT_MKL)
out[i] *= norm;
#else
out[i].re *= norm;
out[i].im *= norm;
#endif
}
}
#endif
#ifdef FFT_T3E
if (flag == 1 && plan->scaled) {
norm = plan->norm;
num = plan->normnum;
for (i = 0; i < num; i++) out[i] *= (norm,norm);
}
#endif
#ifdef FFT_ACML
norm = plan->norm;
num = plan->normnum;
for (i = 0; i < num; i++) {
out[i].re *= norm;
out[i].im *= norm;
}
#endif
}
/* ----------------------------------------------------------------------
Create plan for performing a 3d FFT
Arguments:
comm MPI communicator for the P procs which own the data
nfast,nmid,nslow size of global 3d matrix
in_ilo,in_ihi input bounds of data I own in fast index
in_jlo,in_jhi input bounds of data I own in mid index
in_klo,in_khi input bounds of data I own in slow index
out_ilo,out_ihi output bounds of data I own in fast index
out_jlo,out_jhi output bounds of data I own in mid index
out_klo,out_khi output bounds of data I own in slow index
scaled 0 = no scaling of result, 1 = scaling
permute permutation in storage order of indices on output
0 = no permutation
1 = permute once = mid->fast, slow->mid, fast->slow
2 = permute twice = slow->fast, fast->mid, mid->slow
nbuf returns size of internal storage buffers used by FFT
usecollective use collective MPI operations for remapping data
------------------------------------------------------------------------- */
struct fft_plan_3d *fft_3d_create_plan(
MPI_Comm comm, int nfast, int nmid, int nslow,
int in_ilo, int in_ihi, int in_jlo, int in_jhi,
int in_klo, int in_khi,
int out_ilo, int out_ihi, int out_jlo, int out_jhi,
int out_klo, int out_khi,
int scaled, int permute, int *nbuf, int usecollective)
{
struct fft_plan_3d *plan;
int me,nprocs;
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;
// system specific variables
#ifdef FFT_SCSL
FFT_DATA dummy_d[5];
FFT_PREC dummy_p[5];
int isign,isys;
FFT_PREC scalef;
#endif
#ifdef FFT_INTEL
FFT_DATA dummy;
#endif
#ifdef FFT_T3E
FFT_DATA dummy[5];
int isign,isys;
double scalef;
#endif
// query MPI info
MPI_Comm_rank(comm,&me);
MPI_Comm_size(comm,&nprocs);
// compute division of procs in 2 dimensions not on-processor
bifactor(nprocs,&np1,&np2);
ip1 = me % np1;
ip2 = me/np1;
// allocate memory for plan data struct
plan = (struct fft_plan_3d *) malloc(sizeof(struct fft_plan_3d));
if (plan == NULL) return NULL;
// remap from initial distribution to layout needed for 1st set of 1d FFTs
// not needed if all procs own entire fast axis initially
// first indices = distribution after 1st set of FFTs
if (in_ilo == 0 && in_ihi == nfast-1)
flag = 0;
else
flag = 1;
MPI_Allreduce(&flag,&remapflag,1,MPI_INT,MPI_MAX,comm);
if (remapflag == 0) {
first_ilo = in_ilo;
first_ihi = in_ihi;
first_jlo = in_jlo;
first_jhi = in_jhi;
first_klo = in_klo;
first_khi = in_khi;
plan->pre_plan = NULL;
}
else {
first_ilo = 0;
first_ihi = nfast - 1;
first_jlo = ip1*nmid/np1;
first_jhi = (ip1+1)*nmid/np1 - 1;
first_klo = ip2*nslow/np2;
first_khi = (ip2+1)*nslow/np2 - 1;
plan->pre_plan =
remap_3d_create_plan(comm,in_ilo,in_ihi,in_jlo,in_jhi,in_klo,in_khi,
first_ilo,first_ihi,first_jlo,first_jhi,
first_klo,first_khi,2,0,0,FFT_PRECISION,0);
if (plan->pre_plan == NULL) return NULL;
}
// 1d FFTs along fast axis
plan->length1 = nfast;
plan->total1 = nfast * (first_jhi-first_jlo+1) * (first_khi-first_klo+1);
// remap from 1st to 2nd FFT
// choose which axis is split over np1 vs np2 to minimize communication
// second indices = distribution after 2nd set of FFTs
second_ilo = ip1*nfast/np1;
second_ihi = (ip1+1)*nfast/np1 - 1;
second_jlo = 0;
second_jhi = nmid - 1;
second_klo = ip2*nslow/np2;
second_khi = (ip2+1)*nslow/np2 - 1;
plan->mid1_plan =
remap_3d_create_plan(comm,
first_ilo,first_ihi,first_jlo,first_jhi,
first_klo,first_khi,
second_ilo,second_ihi,second_jlo,second_jhi,
second_klo,second_khi,2,1,0,FFT_PRECISION,usecollective);
if (plan->mid1_plan == NULL) return NULL;
// 1d FFTs along mid axis
plan->length2 = nmid;
plan->total2 = (second_ihi-second_ilo+1) * nmid * (second_khi-second_klo+1);
// remap from 2nd to 3rd FFT
// if final distribution is permute=2 with all procs owning entire slow axis
// then this remapping goes directly to final distribution
// third indices = distribution after 3rd set of FFTs
if (permute == 2 && out_klo == 0 && out_khi == nslow-1)
flag = 0;
else
flag = 1;
MPI_Allreduce(&flag,&remapflag,1,MPI_INT,MPI_MAX,comm);
if (remapflag == 0) {
third_ilo = out_ilo;
third_ihi = out_ihi;
third_jlo = out_jlo;
third_jhi = out_jhi;
third_klo = out_klo;
third_khi = out_khi;
}
else {
third_ilo = ip1*nfast/np1;
third_ihi = (ip1+1)*nfast/np1 - 1;
third_jlo = ip2*nmid/np2;
third_jhi = (ip2+1)*nmid/np2 - 1;
third_klo = 0;
third_khi = nslow - 1;
}
plan->mid2_plan =
remap_3d_create_plan(comm,
second_jlo,second_jhi,second_klo,second_khi,
second_ilo,second_ihi,
third_jlo,third_jhi,third_klo,third_khi,
third_ilo,third_ihi,2,1,0,FFT_PRECISION,usecollective);
if (plan->mid2_plan == NULL) return NULL;
// 1d FFTs along slow axis
plan->length3 = nslow;
plan->total3 = (third_ihi-third_ilo+1) * (third_jhi-third_jlo+1) * nslow;
// remap from 3rd FFT to final distribution
// not needed if permute = 2 and third indices = out indices on all procs
if (permute == 2 &&
out_ilo == third_ilo && out_ihi == third_ihi &&
out_jlo == third_jlo && out_jhi == third_jhi &&
out_klo == third_klo && out_khi == third_khi)
flag = 0;
else
flag = 1;
MPI_Allreduce(&flag,&remapflag,1,MPI_INT,MPI_MAX,comm);
if (remapflag == 0)
plan->post_plan = NULL;
else {
plan->post_plan =
remap_3d_create_plan(comm,
third_klo,third_khi,third_ilo,third_ihi,
third_jlo,third_jhi,
out_klo,out_khi,out_ilo,out_ihi,
out_jlo,out_jhi,2,(permute+1)%3,0,FFT_PRECISION,0);
if (plan->post_plan == NULL) return NULL;
}
// configure plan memory pointers and allocate work space
// out_size = amount of memory given to FFT by user
// first/second/third_size = amount of memory needed after pre,mid1,mid2 remaps
// copy_size = amount needed internally for extra copy of data
// scratch_size = amount needed internally for remap scratch space
// for each remap:
// out space used for result if big enough, else require copy buffer
// accumulate largest required remap scratch space
out_size = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) * (out_khi-out_klo+1);
first_size = (first_ihi-first_ilo+1) * (first_jhi-first_jlo+1) *
(first_khi-first_klo+1);
second_size = (second_ihi-second_ilo+1) * (second_jhi-second_jlo+1) *
(second_khi-second_klo+1);
third_size = (third_ihi-third_ilo+1) * (third_jhi-third_jlo+1) *
(third_khi-third_klo+1);
copy_size = 0;
scratch_size = 0;
if (plan->pre_plan) {
if (first_size <= out_size)
plan->pre_target = 0;
else {
plan->pre_target = 1;
copy_size = MAX(copy_size,first_size);
}
scratch_size = MAX(scratch_size,first_size);
}
if (plan->mid1_plan) {
if (second_size <= out_size)
plan->mid1_target = 0;
else {
plan->mid1_target = 1;
copy_size = MAX(copy_size,second_size);
}
scratch_size = MAX(scratch_size,second_size);
}
if (plan->mid2_plan) {
if (third_size <= out_size)
plan->mid2_target = 0;
else {
plan->mid2_target = 1;
copy_size = MAX(copy_size,third_size);
}
scratch_size = MAX(scratch_size,third_size);
}
if (plan->post_plan)
scratch_size = MAX(scratch_size,out_size);
*nbuf = copy_size + scratch_size;
if (copy_size) {
plan->copy = (FFT_DATA *) malloc(copy_size*sizeof(FFT_DATA));
if (plan->copy == NULL) return NULL;
}
else plan->copy = NULL;
if (scratch_size) {
plan->scratch = (FFT_DATA *) malloc(scratch_size*sizeof(FFT_DATA));
if (plan->scratch == NULL) return NULL;
}
else plan->scratch = NULL;
// system specific pre-computation of 1d FFT coeffs
// and scaling normalization
#if defined(FFT_SGI)
plan->coeff1 = (FFT_DATA *) malloc((nfast+15)*sizeof(FFT_DATA));
plan->coeff2 = (FFT_DATA *) malloc((nmid+15)*sizeof(FFT_DATA));
plan->coeff3 = (FFT_DATA *) malloc((nslow+15)*sizeof(FFT_DATA));
if (plan->coeff1 == NULL || plan->coeff2 == NULL ||
plan->coeff3 == NULL) return NULL;
FFT_1D_INIT(nfast,plan->coeff1);
FFT_1D_INIT(nmid,plan->coeff2);
FFT_1D_INIT(nslow,plan->coeff3);
if (scaled == 0)
plan->scaled = 0;
else {
plan->scaled = 1;
plan->norm = 1.0/(nfast*nmid*nslow);
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
}
#elif defined(FFT_SCSL)
plan->coeff1 = (FFT_PREC *) malloc((2*nfast+30)*sizeof(FFT_PREC));
plan->coeff2 = (FFT_PREC *) malloc((2*nmid+30)*sizeof(FFT_PREC));
plan->coeff3 = (FFT_PREC *) malloc((2*nslow+30)*sizeof(FFT_PREC));
if (plan->coeff1 == NULL || plan->coeff2 == NULL ||
plan->coeff3 == NULL) return NULL;
plan->work1 = (FFT_PREC *) malloc((2*nfast)*sizeof(FFT_PREC));
plan->work2 = (FFT_PREC *) malloc((2*nmid)*sizeof(FFT_PREC));
plan->work3 = (FFT_PREC *) malloc((2*nslow)*sizeof(FFT_PREC));
if (plan->work1 == NULL || plan->work2 == NULL ||
plan->work3 == NULL) return NULL;
isign = 0;
scalef = 1.0;
isys = 0;
FFT_1D_INIT(isign,nfast,scalef,dummy_d,dummy_d,plan->coeff1,dummy_p,&isys);
FFT_1D_INIT(isign,nmid,scalef,dummy_d,dummy_d,plan->coeff2,dummy_p,&isys);
FFT_1D_INIT(isign,nslow,scalef,dummy_d,dummy_d,plan->coeff3,dummy_p,&isys);
if (scaled == 0)
plan->scaled = 0;
else {
plan->scaled = 1;
plan->norm = 1.0/(nfast*nmid*nslow);
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
}
#elif defined(FFT_ACML)
plan->coeff1 = (FFT_DATA *) malloc((3*nfast+100)*sizeof(FFT_DATA));
plan->coeff2 = (FFT_DATA *) malloc((3*nmid+100)*sizeof(FFT_DATA));
plan->coeff3 = (FFT_DATA *) malloc((3*nslow+100)*sizeof(FFT_DATA));
if (plan->coeff1 == NULL || plan->coeff2 == NULL ||
plan->coeff3 == NULL) return NULL;
int isign = 100;
int isys = 1;
int info = 0;
FFT_DATA *dummy = NULL;
FFT_1D(&isign,&isys,&nfast,dummy,plan->coeff1,&info);
FFT_1D(&isign,&isys,&nmid,dummy,plan->coeff2,&info);
FFT_1D(&isign,&isys,&nslow,dummy,plan->coeff3,&info);
if (scaled == 0) {
plan->scaled = 0;
plan->norm = sqrt(nfast*nmid*nslow);
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
} else {
plan->scaled = 1;
plan->norm = sqrt(nfast*nmid*nslow);
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
}
#elif defined(FFT_INTEL)
flag = 0;
int i,num,fftflag;
int list[50];
num = 0;
factor(nfast,&num,list);
for (i = 0; i < num; i++)
if (list[i] != 2 && list[i] != 3 && list[i] != 5) flag = 1;
num = 0;
factor(nmid,&num,list);
for (i = 0; i < num; i++)
if (list[i] != 2 && list[i] != 3 && list[i] != 5) flag = 1;
num = 0;
factor(nslow,&num,list);
for (i = 0; i < num; i++)
if (list[i] != 2 && list[i] != 3 && list[i] != 5) flag = 1;
MPI_Allreduce(&flag,&fftflag,1,MPI_INT,MPI_MAX,comm);
if (fftflag) {
if (me == 0) printf("ERROR: FFTs are not power of 2,3,5\n");
return NULL;
}
plan->coeff1 = (FFT_DATA *) malloc((3*nfast/2+1)*sizeof(FFT_DATA));
plan->coeff2 = (FFT_DATA *) malloc((3*nmid/2+1)*sizeof(FFT_DATA));
plan->coeff3 = (FFT_DATA *) malloc((3*nslow/2+1)*sizeof(FFT_DATA));
if (plan->coeff1 == NULL || plan->coeff2 == NULL ||
plan->coeff3 == NULL) return NULL;
flag = 0;
FFT_1D_INIT(&dummy,&nfast,&flag,plan->coeff1);
FFT_1D_INIT(&dummy,&nmid,&flag,plan->coeff2);
FFT_1D_INIT(&dummy,&nslow,&flag,plan->coeff3);
if (scaled == 0) {
plan->scaled = 1;
plan->norm = nfast*nmid*nslow;
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
}
else
plan->scaled = 0;
#elif defined(FFT_MKL)
DftiCreateDescriptor( &(plan->handle_fast), FFT_MKL_PREC, DFTI_COMPLEX, 1, (MKL_LONG)nfast);
DftiSetValue(plan->handle_fast, DFTI_NUMBER_OF_TRANSFORMS, (MKL_LONG)plan->total1/nfast);
DftiSetValue(plan->handle_fast, DFTI_PLACEMENT,DFTI_INPLACE);
DftiSetValue(plan->handle_fast, DFTI_INPUT_DISTANCE, (MKL_LONG)nfast);
DftiSetValue(plan->handle_fast, DFTI_OUTPUT_DISTANCE, (MKL_LONG)nfast);
DftiCommitDescriptor(plan->handle_fast);
DftiCreateDescriptor( &(plan->handle_mid), FFT_MKL_PREC, DFTI_COMPLEX, 1, (MKL_LONG)nmid);
DftiSetValue(plan->handle_mid, DFTI_NUMBER_OF_TRANSFORMS, (MKL_LONG)plan->total2/nmid);
DftiSetValue(plan->handle_mid, DFTI_PLACEMENT,DFTI_INPLACE);
DftiSetValue(plan->handle_mid, DFTI_INPUT_DISTANCE, (MKL_LONG)nmid);
DftiSetValue(plan->handle_mid, DFTI_OUTPUT_DISTANCE, (MKL_LONG)nmid);
DftiCommitDescriptor(plan->handle_mid);
DftiCreateDescriptor( &(plan->handle_slow), FFT_MKL_PREC, DFTI_COMPLEX, 1, (MKL_LONG)nslow);
DftiSetValue(plan->handle_slow, DFTI_NUMBER_OF_TRANSFORMS, (MKL_LONG)plan->total3/nslow);
DftiSetValue(plan->handle_slow, DFTI_PLACEMENT,DFTI_INPLACE);
DftiSetValue(plan->handle_slow, DFTI_INPUT_DISTANCE, (MKL_LONG)nslow);
DftiSetValue(plan->handle_slow, DFTI_OUTPUT_DISTANCE, (MKL_LONG)nslow);
DftiCommitDescriptor(plan->handle_slow);
if (scaled == 0)
plan->scaled = 0;
else {
plan->scaled = 1;
plan->norm = 1.0/(nfast*nmid*nslow);
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
}
#elif defined(FFT_DEC)
if (scaled == 0) {
plan->scaled = 1;
plan->norm = nfast*nmid*nslow;
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
}
else
plan->scaled = 0;
#elif defined(FFT_T3E)
plan->coeff1 = (double *) malloc((12*nfast)*sizeof(double));
plan->coeff2 = (double *) malloc((12*nmid)*sizeof(double));
plan->coeff3 = (double *) malloc((12*nslow)*sizeof(double));
if (plan->coeff1 == NULL || plan->coeff2 == NULL ||
plan->coeff3 == NULL) return NULL;
plan->work1 = (double *) malloc((8*nfast)*sizeof(double));
plan->work2 = (double *) malloc((8*nmid)*sizeof(double));
plan->work3 = (double *) malloc((8*nslow)*sizeof(double));
if (plan->work1 == NULL || plan->work2 == NULL ||
plan->work3 == NULL) return NULL;
isign = 0;
scalef = 1.0;
isys = 0;
FFT_1D_INIT(&isign,&nfast,&scalef,dummy,dummy,plan->coeff1,dummy,&isys);
FFT_1D_INIT(&isign,&nmid,&scalef,dummy,dummy,plan->coeff2,dummy,&isys);
FFT_1D_INIT(&isign,&nslow,&scalef,dummy,dummy,plan->coeff3,dummy,&isys);
if (scaled == 0)
plan->scaled = 0;
else {
plan->scaled = 1;
plan->norm = 1.0/(nfast*nmid*nslow);
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
}
#elif defined(FFT_FFTW2)
plan->plan_fast_forward =
fftw_create_plan(nfast,FFTW_FORWARD,FFTW_ESTIMATE | FFTW_IN_PLACE);
plan->plan_fast_backward =
fftw_create_plan(nfast,FFTW_BACKWARD,FFTW_ESTIMATE | FFTW_IN_PLACE);
if (nmid == nfast) {
plan->plan_mid_forward = plan->plan_fast_forward;
plan->plan_mid_backward = plan->plan_fast_backward;
}
else {
plan->plan_mid_forward =
fftw_create_plan(nmid,FFTW_FORWARD,FFTW_ESTIMATE | FFTW_IN_PLACE);
plan->plan_mid_backward =
fftw_create_plan(nmid,FFTW_BACKWARD,FFTW_ESTIMATE | FFTW_IN_PLACE);
}
if (nslow == nfast) {
plan->plan_slow_forward = plan->plan_fast_forward;
plan->plan_slow_backward = plan->plan_fast_backward;
}
else if (nslow == nmid) {
plan->plan_slow_forward = plan->plan_mid_forward;
plan->plan_slow_backward = plan->plan_mid_backward;
}
else {
plan->plan_slow_forward =
fftw_create_plan(nslow,FFTW_FORWARD,FFTW_ESTIMATE | FFTW_IN_PLACE);
plan->plan_slow_backward =
fftw_create_plan(nslow,FFTW_BACKWARD,FFTW_ESTIMATE | FFTW_IN_PLACE);
}
if (scaled == 0)
plan->scaled = 0;
else {
plan->scaled = 1;
plan->norm = 1.0/(nfast*nmid*nslow);
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
}
#elif defined(FFT_FFTW3)
plan->plan_fast_forward =
FFTW_API(plan_many_dft)(1, &nfast,plan->total1/plan->length1,
NULL,&nfast,1,plan->length1,
NULL,&nfast,1,plan->length1,
FFTW_FORWARD,FFTW_ESTIMATE);
plan->plan_fast_backward =
FFTW_API(plan_many_dft)(1, &nfast,plan->total1/plan->length1,
NULL,&nfast,1,plan->length1,
NULL,&nfast,1,plan->length1,
FFTW_BACKWARD,FFTW_ESTIMATE);
plan->plan_mid_forward =
FFTW_API(plan_many_dft)(1, &nmid,plan->total2/plan->length2,
NULL,&nmid,1,plan->length2,
NULL,&nmid,1,plan->length2,
FFTW_FORWARD,FFTW_ESTIMATE);
plan->plan_mid_backward =
FFTW_API(plan_many_dft)(1, &nmid,plan->total2/plan->length2,
NULL,&nmid,1,plan->length2,
NULL,&nmid,1,plan->length2,
FFTW_BACKWARD,FFTW_ESTIMATE);
plan->plan_slow_forward =
FFTW_API(plan_many_dft)(1, &nslow,plan->total3/plan->length3,
NULL,&nslow,1,plan->length3,
NULL,&nslow,1,plan->length3,
FFTW_FORWARD,FFTW_ESTIMATE);
plan->plan_slow_backward =
FFTW_API(plan_many_dft)(1, &nslow,plan->total3/plan->length3,
NULL,&nslow,1,plan->length3,
NULL,&nslow,1,plan->length3,
FFTW_BACKWARD,FFTW_ESTIMATE);
if (scaled == 0)
plan->scaled = 0;
else {
plan->scaled = 1;
plan->norm = 1.0/(nfast*nmid*nslow);
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
}
#else
plan->cfg_fast_forward = kiss_fft_alloc(nfast,0,NULL,NULL);
plan->cfg_fast_backward = kiss_fft_alloc(nfast,1,NULL,NULL);
if (nmid == nfast) {
plan->cfg_mid_forward = plan->cfg_fast_forward;
plan->cfg_mid_backward = plan->cfg_fast_backward;
}
else {
plan->cfg_mid_forward = kiss_fft_alloc(nmid,0,NULL,NULL);
plan->cfg_mid_backward = kiss_fft_alloc(nmid,1,NULL,NULL);
}
if (nslow == nfast) {
plan->cfg_slow_forward = plan->cfg_fast_forward;
plan->cfg_slow_backward = plan->cfg_fast_backward;
}
else if (nslow == nmid) {
plan->cfg_slow_forward = plan->cfg_mid_forward;
plan->cfg_slow_backward = plan->cfg_mid_backward;
}
else {
plan->cfg_slow_forward = kiss_fft_alloc(nslow,0,NULL,NULL);
plan->cfg_slow_backward = kiss_fft_alloc(nslow,1,NULL,NULL);
}
if (scaled == 0)
plan->scaled = 0;
else {
plan->scaled = 1;
plan->norm = 1.0/(nfast*nmid*nslow);
plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
(out_khi-out_klo+1);
}
#endif
return plan;
}
/* ----------------------------------------------------------------------
Destroy a 3d fft plan
------------------------------------------------------------------------- */
void fft_3d_destroy_plan(struct fft_plan_3d *plan)
{
if (plan->pre_plan) remap_3d_destroy_plan(plan->pre_plan);
if (plan->mid1_plan) remap_3d_destroy_plan(plan->mid1_plan);
if (plan->mid2_plan) remap_3d_destroy_plan(plan->mid2_plan);
if (plan->post_plan) remap_3d_destroy_plan(plan->post_plan);
if (plan->copy) free(plan->copy);
if (plan->scratch) free(plan->scratch);
#if defined(FFT_SGI)
free(plan->coeff1);
free(plan->coeff2);
free(plan->coeff3);
#elif defined(FFT_SCSL)
free(plan->coeff1);
free(plan->coeff2);
free(plan->coeff3);
free(plan->work1);
free(plan->work2);
free(plan->work3);
#elif defined(FFT_ACML)
free(plan->coeff1);
free(plan->coeff2);
free(plan->coeff3);
#elif defined(FFT_INTEL)
free(plan->coeff1);
free(plan->coeff2);
free(plan->coeff3);
#elif defined(FFT_MKL)
DftiFreeDescriptor(&(plan->handle_fast));
DftiFreeDescriptor(&(plan->handle_mid));
DftiFreeDescriptor(&(plan->handle_slow));
#elif defined(FFT_T3E)
free(plan->coeff1);
free(plan->coeff2);
free(plan->coeff3);
free(plan->work1);
free(plan->work2);
free(plan->work3);
#elif defined(FFT_FFTW2)
if (plan->plan_slow_forward != plan->plan_fast_forward &&
plan->plan_slow_forward != plan->plan_mid_forward) {
fftw_destroy_plan(plan->plan_slow_forward);
fftw_destroy_plan(plan->plan_slow_backward);
}
if (plan->plan_mid_forward != plan->plan_fast_forward) {
fftw_destroy_plan(plan->plan_mid_forward);
fftw_destroy_plan(plan->plan_mid_backward);
}
fftw_destroy_plan(plan->plan_fast_forward);
fftw_destroy_plan(plan->plan_fast_backward);
#elif defined(FFT_FFTW3)
FFTW_API(destroy_plan)(plan->plan_slow_forward);
FFTW_API(destroy_plan)(plan->plan_slow_backward);
FFTW_API(destroy_plan)(plan->plan_mid_forward);
FFTW_API(destroy_plan)(plan->plan_mid_backward);
FFTW_API(destroy_plan)(plan->plan_fast_forward);
FFTW_API(destroy_plan)(plan->plan_fast_backward);
#else
if (plan->cfg_slow_forward != plan->cfg_fast_forward &&
plan->cfg_slow_forward != plan->cfg_mid_forward) {
free(plan->cfg_slow_forward);
free(plan->cfg_slow_backward);
}
if (plan->cfg_mid_forward != plan->cfg_fast_forward) {
free(plan->cfg_mid_forward);
free(plan->cfg_mid_backward);
}
free(plan->cfg_fast_forward);
free(plan->cfg_fast_backward);
#endif
free(plan);
}
/* ----------------------------------------------------------------------
recursively divide n into small factors, return them in list
------------------------------------------------------------------------- */
void factor(int n, int *num, int *list)
{
if (n == 1) {
return;
}
else if (n % 2 == 0) {
*list = 2;
(*num)++;
factor(n/2,num,list+1);
}
else if (n % 3 == 0) {
*list = 3;
(*num)++;
factor(n/3,num,list+1);
}
else if (n % 5 == 0) {
*list = 5;
(*num)++;
factor(n/5,num,list+1);
}
else if (n % 7 == 0) {
*list = 7;
(*num)++;
factor(n/7,num,list+1);
}
else if (n % 11 == 0) {
*list = 11;
(*num)++;
factor(n/11,num,list+1);
}
else if (n % 13 == 0) {
*list = 13;
(*num)++;
factor(n/13,num,list+1);
}
else {
*list = n;
(*num)++;
return;
}
}
/* ----------------------------------------------------------------------
divide n into 2 factors of as equal size as possible
------------------------------------------------------------------------- */
void bifactor(int n, int *factor1, int *factor2)
{
int n1,n2,facmax;
facmax = static_cast<int> (sqrt((double) n));
for (n1 = facmax; n1 > 0; n1--) {
n2 = n/n1;
if (n1*n2 == n) {
*factor1 = n1;
*factor2 = n2;
return;
}
}
}
/* ----------------------------------------------------------------------
perform just the 1d FFTs needed by a 3d FFT, no data movement
used for timing purposes
Arguments:
in starting address of input data on this proc, all set to 0.0
nsize size of in
flag 1 for forward FFT, -1 for inverse FFT
plan plan returned by previous call to fft_3d_create_plan
------------------------------------------------------------------------- */
void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
{
int i,num;
FFT_SCALAR norm, *data_ptr;
// system specific constants
#ifdef FFT_SCSL
int isys = 0;
FFT_PREC scalef = 1.0;
#endif
#ifdef FFT_DEC
char c = 'C';
char f = 'F';
char b = 'B';
int one = 1;
#endif
#ifdef FFT_T3E
int isys = 0;
double scalef = 1.0;
#endif
// total = size of data needed in each dim
// length = length of 1d FFT in each dim
// total/length = # of 1d FFTs in each dim
// if total > nsize, limit # of 1d FFTs to available size of data
int total1 = plan->total1;
int length1 = plan->length1;
int total2 = plan->total2;
int length2 = plan->length2;
int total3 = plan->total3;
int length3 = plan->length3;
// fftw3 and Dfti in MKL encode the number of transforms
// into the plan, so we cannot operate on a smaller data set.
#if defined(FFT_MKL) || defined(FFT_FFTW3)
if ((total1 > nsize) || (total2 > nsize) || (total3 > nsize))
return;
#endif
if (total1 > nsize) total1 = (nsize/length1) * length1;
if (total2 > nsize) total2 = (nsize/length2) * length2;
if (total3 > nsize) total3 = (nsize/length3) * length3;
// perform 1d FFTs in each of 3 dimensions
// data is just an array of 0.0
#ifdef FFT_SGI
for (int offset = 0; offset < total1; offset += length1)
FFT_1D(flag,length1,&data[offset],1,plan->coeff1);
for (int offset = 0; offset < total2; offset += length2)
FFT_1D(flag,length2,&data[offset],1,plan->coeff2);
for (int offset = 0; offset < total3; offset += length3)
FFT_1D(flag,length3,&data[offset],1,plan->coeff3);
#elif defined(FFT_SCSL)
for (int offset = 0; offset < total1; offset += length1)
FFT_1D(flag,length1,scalef,&data[offset],&data[offset],plan->coeff1,
plan->work1,&isys);
for (int offset = 0; offset < total2; offset += length2)
FFT_1D(flag,length2,scalef,&data[offset],&data[offset],plan->coeff2,
plan->work2,&isys);
for (int offset = 0; offset < total3; offset += length3)
FFT_1D(flag,length3,scalef,&data[offset],&data[offset],plan->coeff3,
plan->work3,&isys);
#elif defined(FFT_ACML)
int info=0;
num=total1/length1;
FFT_1D(&flag,&num,&length1,data,plan->coeff1,&info);
num=total2/length2;
FFT_1D(&flag,&num,&length2,data,plan->coeff2,&info);
num=total3/length3;
FFT_1D(&flag,&num,&length3,data,plan->coeff3,&info);
#elif defined(FFT_INTEL)
for (int offset = 0; offset < total1; offset += length1)
FFT_1D(&data[offset],&length1,&flag,plan->coeff1);
for (int offset = 0; offset < total2; offset += length2)
FFT_1D(&data[offset],&length2,&flag,plan->coeff2);
for (int offset = 0; offset < total3; offset += length3)
FFT_1D(&data[offset],&length3,&flag,plan->coeff3);
#elif defined(FFT_MKL)
if (flag == -1) {
DftiComputeForward(plan->handle_fast,data);
DftiComputeForward(plan->handle_mid,data);
DftiComputeForward(plan->handle_slow,data);
} else {
DftiComputeBackward(plan->handle_fast,data);
DftiComputeBackward(plan->handle_mid,data);
DftiComputeBackward(plan->handle_slow,data);
}
#elif defined(FFT_DEC)
if (flag == -1) {
for (int offset = 0; offset < total1; offset += length1)
FFT_1D(&c,&c,&f,&data[offset],&data[offset],&length1,&one);
for (int offset = 0; offset < total2; offset += length2)
FFT_1D(&c,&c,&f,&data[offset],&data[offset],&length2,&one);
for (int offset = 0; offset < total3; offset += length3)
FFT_1D(&c,&c,&f,&data[offset],&data[offset],&length3,&one);
} else {
for (int offset = 0; offset < total1; offset += length1)
FFT_1D(&c,&c,&b,&data[offset],&data[offset],&length1,&one);
for (int offset = 0; offset < total2; offset += length2)
FFT_1D(&c,&c,&b,&data[offset],&data[offset],&length2,&one);
for (int offset = 0; offset < total3; offset += length3)
FFT_1D(&c,&c,&b,&data[offset],&data[offset],&length3,&one);
}
#elif defined(FFT_T3E)
for (int offset = 0; offset < total1; offset += length1)
FFT_1D(&flag,&length1,&scalef,&data[offset],&data[offset],plan->coeff1,
plan->work1,&isys);
for (int offset = 0; offset < total2; offset += length2)
FFT_1D(&flag,&length2,&scalef,&data[offset],&data[offset],plan->coeff2,
plan->work2,&isys);
for (int offset = 0; offset < total3; offset += length3)
FFT_1D(&flag,&length3,&scalef,&data[offset],&data[offset],plan->coeff3,
plan->work3,&isys);
#elif defined(FFT_FFTW2)
if (flag == -1) {
fftw(plan->plan_fast_forward,total1/length1,data,1,0,NULL,0,0);
fftw(plan->plan_mid_forward,total2/length2,data,1,0,NULL,0,0);
fftw(plan->plan_slow_forward,total3/length3,data,1,0,NULL,0,0);
} else {
fftw(plan->plan_fast_backward,total1/length1,data,1,0,NULL,0,0);
fftw(plan->plan_mid_backward,total2/length2,data,1,0,NULL,0,0);
fftw(plan->plan_slow_backward,total3/length3,data,1,0,NULL,0,0);
}
#elif defined(FFT_FFTW3)
FFTW_API(plan) theplan;
if (flag == -1)
theplan=plan->plan_fast_forward;
else
theplan=plan->plan_fast_backward;
FFTW_API(execute_dft)(theplan,data,data);
if (flag == -1)
theplan=plan->plan_mid_forward;
else
theplan=plan->plan_mid_backward;
FFTW_API(execute_dft)(theplan,data,data);
if (flag == -1)
theplan=plan->plan_slow_forward;
else
theplan=plan->plan_slow_backward;
FFTW_API(execute_dft)(theplan,data,data);
#else
if (flag == -1) {
for (int offset = 0; offset < total1; offset += length1)
kiss_fft(plan->cfg_fast_forward,&data[offset],&data[offset]);
for (int offset = 0; offset < total2; offset += length2)
kiss_fft(plan->cfg_mid_forward,&data[offset],&data[offset]);
for (int offset = 0; offset < total3; offset += length3)
kiss_fft(plan->cfg_slow_forward,&data[offset],&data[offset]);
} else {
for (int offset = 0; offset < total1; offset += length1)
kiss_fft(plan->cfg_fast_backward,&data[offset],&data[offset]);
for (int offset = 0; offset < total2; offset += length2)
kiss_fft(plan->cfg_mid_backward,&data[offset],&data[offset]);
for (int offset = 0; offset < total3; offset += length3)
kiss_fft(plan->cfg_slow_backward,&data[offset],&data[offset]);
}
#endif
// scaling if required
// limit num to size of data
#ifndef FFT_T3E
if (flag == 1 && plan->scaled) {
norm = plan->norm;
num = MIN(plan->normnum,nsize);
data_ptr = (FFT_SCALAR *)data;
for (i = 0; i < num; i++) {
#if defined(FFT_FFTW3)
*(data_ptr++) *= norm;
*(data_ptr++) *= norm;
#elif defined(FFT_MKL)
data[i] *= norm;
#else
data[i].re *= norm;
data[i].im *= norm;
#endif
}
}
#endif
#ifdef FFT_T3E
if (flag == 1 && plan->scaled) {
norm = plan->norm;
num = MIN(plan->normnum,nsize);
for (i = 0; i < num; i++) data[i] *= (norm,norm);
}
#endif
}
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