// clang-format off /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, 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, KISS FFT, Dfti/MKL, and ACML Phil Blood (PSC) added single precision FFTs Paul Coffman (IBM) added MPI collectives remap ------------------------------------------------------------------------- */ #include "fft3d.h" #include "remap.h" #include #include #if defined(_OPENMP) #include #endif #ifdef FFT_KISS /* 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 backward 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) { FFT_SCALAR norm; #if defined(FFT_FFTW3) FFT_SCALAR *out_ptr; #endif FFT_DATA *data,*copy; // system specific constants #if 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 #if defined(FFT_MKL) if (flag == 1) DftiComputeForward(plan->handle_fast,data); else DftiComputeBackward(plan->handle_fast,data); #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 int total = plan->total1; int length = plan->length1; if (flag == 1) for (int offset = 0; offset < total; offset += length) kiss_fft(plan->cfg_fast_forward,&data[offset],&data[offset]); else for (int 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 #if defined(FFT_MKL) if (flag == 1) DftiComputeForward(plan->handle_mid,data); else DftiComputeBackward(plan->handle_mid,data); #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 total = plan->total2; length = plan->length2; if (flag == 1) for (int offset = 0; offset < total; offset += length) kiss_fft(plan->cfg_mid_forward,&data[offset],&data[offset]); else for (int 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 #if defined(FFT_MKL) if (flag == 1) DftiComputeForward(plan->handle_slow,data); else DftiComputeBackward(plan->handle_slow,data); #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 total = plan->total3; length = plan->length3; if (flag == 1) for (int offset = 0; offset < total; offset += length) kiss_fft(plan->cfg_slow_forward,&data[offset],&data[offset]); else for (int 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 (flag == -1 && plan->scaled) { norm = plan->norm; const int num = plan->normnum; #if defined(FFT_FFTW3) out_ptr = (FFT_SCALAR *)out; #endif for (int i = 0; i < num; i++) { #if defined(FFT_FFTW3) *(out_ptr++) *= norm; *(out_ptr++) *= norm; #elif defined(FFT_MKL) out[i] *= norm; #else /* FFT_KISS */ 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,nthreads; 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; // query MPI info MPI_Comm_rank(comm,&me); MPI_Comm_size(comm,&nprocs); #if defined(_OPENMP) // query OpenMP info. // should have been initialized systemwide in Comm class constructor nthreads = omp_get_max_threads(); #else nthreads = 1; #endif // 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 == nullptr) return nullptr; // 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 = nullptr; } 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 == nullptr) return nullptr; } // 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 == nullptr) return nullptr; // 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 == nullptr) return nullptr; // 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 = nullptr; 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 == nullptr) return nullptr; } // 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 == nullptr) return nullptr; } else plan->copy = nullptr; if (scratch_size) { plan->scratch = (FFT_DATA *) malloc(scratch_size*sizeof(FFT_DATA)); if (plan->scratch == nullptr) return nullptr; } else plan->scratch = nullptr; // system specific pre-computation of 1d FFT coeffs // and scaling normalization #if 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); #if defined(FFT_MKL_THREADS) DftiSetValue(plan->handle_fast, DFTI_NUMBER_OF_USER_THREADS, nthreads); #endif 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); #if defined(FFT_MKL_THREADS) DftiSetValue(plan->handle_mid, DFTI_NUMBER_OF_USER_THREADS, nthreads); #endif 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); #if defined(FFT_MKL_THREADS) DftiSetValue(plan->handle_slow, DFTI_NUMBER_OF_USER_THREADS, nthreads); #endif DftiCommitDescriptor(plan->handle_slow); #elif defined(FFT_FFTW3) #if defined(FFT_FFTW_THREADS) if (nthreads > 1) { FFTW_API(init_threads)(); FFTW_API(plan_with_nthreads)(nthreads); } #endif plan->plan_fast_forward = FFTW_API(plan_many_dft)(1, &nfast,plan->total1/plan->length1, nullptr,&nfast,1,plan->length1, nullptr,&nfast,1,plan->length1, FFTW_FORWARD,FFTW_ESTIMATE); plan->plan_fast_backward = FFTW_API(plan_many_dft)(1, &nfast,plan->total1/plan->length1, nullptr,&nfast,1,plan->length1, nullptr,&nfast,1,plan->length1, FFTW_BACKWARD,FFTW_ESTIMATE); plan->plan_mid_forward = FFTW_API(plan_many_dft)(1, &nmid,plan->total2/plan->length2, nullptr,&nmid,1,plan->length2, nullptr,&nmid,1,plan->length2, FFTW_FORWARD,FFTW_ESTIMATE); plan->plan_mid_backward = FFTW_API(plan_many_dft)(1, &nmid,plan->total2/plan->length2, nullptr,&nmid,1,plan->length2, nullptr,&nmid,1,plan->length2, FFTW_BACKWARD,FFTW_ESTIMATE); plan->plan_slow_forward = FFTW_API(plan_many_dft)(1, &nslow,plan->total3/plan->length3, nullptr,&nslow,1,plan->length3, nullptr,&nslow,1,plan->length3, FFTW_FORWARD,FFTW_ESTIMATE); plan->plan_slow_backward = FFTW_API(plan_many_dft)(1, &nslow,plan->total3/plan->length3, nullptr,&nslow,1,plan->length3, nullptr,&nslow,1,plan->length3, FFTW_BACKWARD,FFTW_ESTIMATE); #else /* FFT_KISS */ plan->cfg_fast_forward = kiss_fft_alloc(nfast,0,nullptr,nullptr); plan->cfg_fast_backward = kiss_fft_alloc(nfast,1,nullptr,nullptr); 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,nullptr,nullptr); plan->cfg_mid_backward = kiss_fft_alloc(nmid,1,nullptr,nullptr); } 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,nullptr,nullptr); plan->cfg_slow_backward = kiss_fft_alloc(nslow,1,nullptr,nullptr); } #endif 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); } 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_MKL) DftiFreeDescriptor(&(plan->handle_fast)); DftiFreeDescriptor(&(plan->handle_mid)); DftiFreeDescriptor(&(plan->handle_slow)); #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); #if defined(FFT_FFTW_THREADS) FFTW_API(cleanup_threads)(); #endif #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 (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 backward 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; #if defined(FFT_FFTW3) FFT_SCALAR *data_ptr; #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 #if 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_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 if (flag == -1 && plan->scaled) { norm = plan->norm; num = MIN(plan->normnum,nsize); #if defined(FFT_FFTW3) data_ptr = (FFT_SCALAR *)data; #endif 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 } } }