mirror of https://github.com/lammps/lammps.git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6609 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
57088e09f9
commit
aa5882275c
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@ -17,6 +17,7 @@ if (test $1 = 1) then
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cp remap_wrap.cpp ..
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cp ewald.h ..
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cp kissfft.h ..
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cp pppm.h ..
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cp pppm_tip4p.h ..
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cp pair_born_coul_long.h ..
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@ -47,6 +48,7 @@ elif (test $1 = 0) then
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rm -f ../remap_wrap.cpp
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rm -f ../ewald.h
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rm -f ../kissfft.h
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rm -f ../pppm.h
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rm -f ../pppm_tip4p.h
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rm -f ../pair_born_coul_long.h
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@ -13,6 +13,9 @@
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/* ----------------------------------------------------------------------
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Contributing authors: Jim Shepherd (GA Tech) added SGI SCSL support
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Axel Kohlmeyer (Temple U) added support for
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FFTW3, KISSFFT, Dfti/MKL, and ACML.
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Phil Blood (PSC) added single precision FFT.
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------------------------------------------------------------------------- */
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#include "mpi.h"
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@ -22,6 +25,11 @@
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#include "fft3d.h"
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#include "remap.h"
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#ifdef FFT_KISSFFT
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/* include kissfft implementation */
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#include "kissfft.h"
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#endif
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#define MIN(A,B) ((A) < (B)) ? (A) : (B)
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#define MAX(A,B) ((A) > (B)) ? (A) : (B)
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@ -58,24 +66,28 @@
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void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
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{
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int i,total,length,offset,num;
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double norm;
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FFT_SCALAR norm, *out_ptr;
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FFT_DATA *data,*copy;
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// system specific constants
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#ifdef FFT_SCSL
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#if defined(FFT_SCSL)
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int isys = 0;
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FFT_PREC scalef = 1.0;
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#endif
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#ifdef FFT_DEC
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#elif defined(FFT_DEC)
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char c = 'C';
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char f = 'F';
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char b = 'B';
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int one = 1;
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#endif
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#ifdef FFT_T3E
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#elif defined(FFT_T3E)
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int isys = 0;
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double scalef = 1.0;
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#elif defined(FFT_ACML)
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int info;
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#elif defined(FFT_FFTW3)
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FFTW_API(plan) theplan;
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#else
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// nothing to do for other FFTs.
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#endif
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// pre-remap to prepare for 1st FFTs if needed
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@ -84,7 +96,7 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
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if (plan->pre_plan) {
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if (plan->pre_target == 0) copy = out;
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else copy = plan->copy;
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remap_3d((double *) in, (double *) copy, (double *) plan->scratch,
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remap_3d((FFT_SCALAR *) in, (FFT_SCALAR *) copy, (FFT_SCALAR *) plan->scratch,
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plan->pre_plan);
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data = copy;
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}
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@ -96,37 +108,53 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
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total = plan->total1;
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length = plan->length1;
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#ifdef FFT_SGI
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#if defined(FFT_SGI)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(flag,length,&data[offset],1,plan->coeff1);
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#endif
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#ifdef FFT_SCSL
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#elif defined(FFT_SCSL)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(flag,length,scalef,&data[offset],&data[offset],plan->coeff1,
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plan->work1,&isys);
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#endif
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#ifdef FFT_INTEL
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#elif defined(FFT_ACML)
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num=total/length;
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FFT_1D(&flag,&num,&length,data,plan->coeff1,&info);
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#elif defined(FFT_INTEL)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&data[offset],&length,&flag,plan->coeff1);
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#endif
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#ifdef FFT_DEC
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#elif defined(FFT_MKL)
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if (flag == -1)
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DftiComputeForward(plan->handle_fast,data);
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else
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DftiComputeBackward(plan->handle_fast,data);
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#elif defined(FFT_DEC)
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if (flag == -1)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&c,&c,&f,&data[offset],&data[offset],&length,&one);
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else
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&c,&c,&b,&data[offset],&data[offset],&length,&one);
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#endif
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#ifdef FFT_T3E
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#elif defined(FFT_T3E)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&flag,&length,&scalef,&data[offset],&data[offset],plan->coeff1,
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plan->work1,&isys);
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#endif
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#ifdef FFT_FFTW
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#elif defined(FFT_FFTW2)
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if (flag == -1)
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fftw(plan->plan_fast_forward,total/length,data,1,length,NULL,0,0);
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else
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fftw(plan->plan_fast_backward,total/length,data,1,length,NULL,0,0);
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#elif defined(FFT_FFTW3)
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if (flag == -1)
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theplan=plan->plan_fast_forward;
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else
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theplan=plan->plan_fast_backward;
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FFTW_API(execute_dft)(theplan,data,data);
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#else
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if (flag == -1)
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for (offset = 0; offset < total; offset += length)
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kiss_fft(plan->cfg_fast_forward,&data[offset],&data[offset]);
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else
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for (offset = 0; offset < total; offset += length)
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kiss_fft(plan->cfg_fast_backward,&data[offset],&data[offset]);
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#endif
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// 1st mid-remap to prepare for 2nd FFTs
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@ -134,7 +162,7 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
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if (plan->mid1_target == 0) copy = out;
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else copy = plan->copy;
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remap_3d((double *) data, (double *) copy, (double *) plan->scratch,
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remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) copy, (FFT_SCALAR *) plan->scratch,
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plan->mid1_plan);
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data = copy;
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@ -143,37 +171,53 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
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total = plan->total2;
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length = plan->length2;
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#ifdef FFT_SGI
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#if defined(FFT_SGI)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(flag,length,&data[offset],1,plan->coeff2);
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#endif
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#ifdef FFT_SCSL
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#elif defined(FFT_SCSL)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(flag,length,scalef,&data[offset],&data[offset],plan->coeff2,
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plan->work2,&isys);
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#endif
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#ifdef FFT_INTEL
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#elif defined(FFT_ACML)
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num=total/length;
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FFT_1D(&flag,&num,&length,data,plan->coeff2,&info);
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#elif defined(FFT_INTEL)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&data[offset],&length,&flag,plan->coeff2);
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#endif
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#ifdef FFT_DEC
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#elif defined(FFT_MKL)
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if (flag == -1)
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DftiComputeForward(plan->handle_mid,data);
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else
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DftiComputeBackward(plan->handle_mid,data);
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#elif defined(FFT_DEC)
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if (flag == -1)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&c,&c,&f,&data[offset],&data[offset],&length,&one);
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else
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&c,&c,&b,&data[offset],&data[offset],&length,&one);
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#endif
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#ifdef FFT_T3E
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#elif defined(FFT_T3E)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&flag,&length,&scalef,&data[offset],&data[offset],plan->coeff2,
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plan->work2,&isys);
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#endif
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#ifdef FFT_FFTW
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#elif defined(FFT_FFTW2)
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if (flag == -1)
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fftw(plan->plan_mid_forward,total/length,data,1,length,NULL,0,0);
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else
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fftw(plan->plan_mid_backward,total/length,data,1,length,NULL,0,0);
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#elif defined(FFT_FFTW3)
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if (flag == -1)
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theplan=plan->plan_mid_forward;
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else
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theplan=plan->plan_mid_backward;
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FFTW_API(execute_dft)(theplan,data,data);
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#else
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if (flag == -1)
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for (offset = 0; offset < total; offset += length)
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kiss_fft(plan->cfg_mid_forward,&data[offset],&data[offset]);
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else
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for (offset = 0; offset < total; offset += length)
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kiss_fft(plan->cfg_mid_backward,&data[offset],&data[offset]);
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#endif
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// 2nd mid-remap to prepare for 3rd FFTs
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@ -181,7 +225,7 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
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if (plan->mid2_target == 0) copy = out;
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else copy = plan->copy;
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remap_3d((double *) data, (double *) copy, (double *) plan->scratch,
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remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) copy, (FFT_SCALAR *) plan->scratch,
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plan->mid2_plan);
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data = copy;
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@ -190,55 +234,78 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
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total = plan->total3;
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length = plan->length3;
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#ifdef FFT_SGI
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#if defined(FFT_SGI)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(flag,length,&data[offset],1,plan->coeff3);
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#endif
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#ifdef FFT_SCSL
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#elif defined(FFT_SCSL)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(flag,length,scalef,&data[offset],&data[offset],plan->coeff3,
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plan->work3,&isys);
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#endif
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#ifdef FFT_INTEL
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#elif defined(FFT_ACML)
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num=total/length;
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FFT_1D(&flag,&num,&length,data,plan->coeff3,&info);
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#elif defined(FFT_INTEL)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&data[offset],&length,&flag,plan->coeff3);
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#endif
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#ifdef FFT_DEC
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#elif defined(FFT_MKL)
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if (flag == -1)
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DftiComputeForward(plan->handle_slow,data);
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else
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DftiComputeBackward(plan->handle_slow,data);
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#elif defined(FFT_DEC)
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if (flag == -1)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&c,&c,&f,&data[offset],&data[offset],&length,&one);
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else
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&c,&c,&b,&data[offset],&data[offset],&length,&one);
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#endif
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#ifdef FFT_T3E
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#elif defined(FFT_T3E)
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for (offset = 0; offset < total; offset += length)
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FFT_1D(&flag,&length,&scalef,&data[offset],&data[offset],plan->coeff3,
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plan->work3,&isys);
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#endif
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#ifdef FFT_FFTW
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#elif defined(FFT_FFTW2)
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if (flag == -1)
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fftw(plan->plan_slow_forward,total/length,data,1,length,NULL,0,0);
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else
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fftw(plan->plan_slow_backward,total/length,data,1,length,NULL,0,0);
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#elif defined(FFT_FFTW3)
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if (flag == -1)
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theplan=plan->plan_slow_forward;
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else
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theplan=plan->plan_slow_backward;
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FFTW_API(execute_dft)(theplan,data,data);
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#else
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if (flag == -1)
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for (offset = 0; offset < total; offset += length)
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kiss_fft(plan->cfg_slow_forward,&data[offset],&data[offset]);
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else
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for (offset = 0; offset < total; offset += length)
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kiss_fft(plan->cfg_slow_backward,&data[offset],&data[offset]);
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#endif
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// post-remap to put data in output format if needed
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// destination is always out
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if (plan->post_plan)
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remap_3d((double *) data, (double *) out, (double *) plan->scratch,
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remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) out, (FFT_SCALAR *) plan->scratch,
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plan->post_plan);
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// scaling if required
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#ifndef FFT_T3E
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#if !defined(FFT_T3E) && !defined(FFT_ACML)
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if (flag == 1 && plan->scaled) {
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norm = plan->norm;
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num = plan->normnum;
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out_ptr = (FFT_SCALAR *)out;
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for (i = 0; i < num; i++) {
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#if defined(FFT_FFTW3)
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*(out_ptr++) *= norm;
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*(out_ptr++) *= norm;
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#elif defined(FFT_MKL)
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out[i] *= norm;
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#else
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out[i].re *= norm;
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out[i].im *= norm;
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#endif
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}
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}
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#endif
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@ -250,6 +317,16 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
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for (i = 0; i < num; i++) out[i] *= (norm,norm);
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}
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#endif
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#ifdef FFT_ACML
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norm = plan->norm;
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num = plan->normnum;
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for (i = 0; i < num; i++) {
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out[i].re *= norm;
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out[i].im *= norm;
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}
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#endif
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}
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/* ----------------------------------------------------------------------
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@ -312,13 +389,6 @@ struct fft_plan_3d *fft_3d_create_plan(
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MPI_Comm_rank(comm,&me);
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MPI_Comm_size(comm,&nprocs);
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#ifdef FFT_NONE
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if (me == 0) {
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printf("ERROR: Cannot use FFTs with FFT_NONE set\n");
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return NULL;
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}
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#endif
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// compute division of procs in 2 dimensions not on-processor
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bifactor(nprocs,&np1,&np2);
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@ -529,7 +599,7 @@ struct fft_plan_3d *fft_3d_create_plan(
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// system specific pre-computation of 1d FFT coeffs
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// and scaling normalization
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#ifdef FFT_SGI
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#if defined(FFT_SGI)
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plan->coeff1 = (FFT_DATA *) malloc((nfast+15)*sizeof(FFT_DATA));
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plan->coeff2 = (FFT_DATA *) malloc((nmid+15)*sizeof(FFT_DATA));
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@ -551,9 +621,7 @@ struct fft_plan_3d *fft_3d_create_plan(
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(out_khi-out_klo+1);
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}
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#endif
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#ifdef FFT_SCSL
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#elif defined(FFT_SCSL)
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plan->coeff1 = (FFT_PREC *) malloc((2*nfast+30)*sizeof(FFT_PREC));
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plan->coeff2 = (FFT_PREC *) malloc((2*nmid+30)*sizeof(FFT_PREC));
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@ -586,9 +654,37 @@ struct fft_plan_3d *fft_3d_create_plan(
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(out_khi-out_klo+1);
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}
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#endif
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#elif defined(FFT_ACML)
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#ifdef FFT_INTEL
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plan->coeff1 = (FFT_DATA *) malloc((3*nfast+100)*sizeof(FFT_DATA));
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plan->coeff2 = (FFT_DATA *) malloc((3*nmid+100)*sizeof(FFT_DATA));
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plan->coeff3 = (FFT_DATA *) malloc((3*nslow+100)*sizeof(FFT_DATA));
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if (plan->coeff1 == NULL || plan->coeff2 == NULL ||
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plan->coeff3 == NULL) return NULL;
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int isign = 100;
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int isys = 1;
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int info = 0;
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FFT_DATA *dummy = NULL;
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FFT_1D(&isign,&isys,&nfast,dummy,plan->coeff1,&info);
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FFT_1D(&isign,&isys,&nmid,dummy,plan->coeff2,&info);
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FFT_1D(&isign,&isys,&nslow,dummy,plan->coeff3,&info);
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if (scaled == 0) {
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plan->scaled = 0;
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plan->norm = sqrt(nfast*nmid*nslow);
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plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
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(out_khi-out_klo+1);
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} else {
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plan->scaled = 1;
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plan->norm = sqrt(nfast*nmid*nslow);
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plan->normnum = (out_ihi-out_ilo+1) * (out_jhi-out_jlo+1) *
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||||
(out_khi-out_klo+1);
|
||||
}
|
||||
|
||||
#elif defined(FFT_INTEL)
|
||||
|
||||
flag = 0;
|
||||
|
||||
|
|
@ -632,9 +728,38 @@ struct fft_plan_3d *fft_3d_create_plan(
|
|||
else
|
||||
plan->scaled = 0;
|
||||
|
||||
#endif
|
||||
#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);
|
||||
|
||||
#ifdef FFT_DEC
|
||||
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;
|
||||
|
|
@ -645,9 +770,7 @@ struct fft_plan_3d *fft_3d_create_plan(
|
|||
else
|
||||
plan->scaled = 0;
|
||||
|
||||
#endif
|
||||
|
||||
#ifdef FFT_T3E
|
||||
#elif defined(FFT_T3E)
|
||||
|
||||
plan->coeff1 = (double *) malloc((12*nfast)*sizeof(double));
|
||||
plan->coeff2 = (double *) malloc((12*nmid)*sizeof(double));
|
||||
|
|
@ -680,9 +803,7 @@ struct fft_plan_3d *fft_3d_create_plan(
|
|||
(out_khi-out_klo+1);
|
||||
}
|
||||
|
||||
#endif
|
||||
|
||||
#ifdef FFT_FFTW
|
||||
#elif defined(FFT_FFTW2)
|
||||
|
||||
plan->plan_fast_forward =
|
||||
fftw_create_plan(nfast,FFTW_FORWARD,FFTW_ESTIMATE | FFTW_IN_PLACE);
|
||||
|
|
@ -724,6 +845,81 @@ struct fft_plan_3d *fft_3d_create_plan(
|
|||
(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;
|
||||
|
|
@ -743,35 +939,39 @@ void fft_3d_destroy_plan(struct fft_plan_3d *plan)
|
|||
if (plan->copy) free(plan->copy);
|
||||
if (plan->scratch) free(plan->scratch);
|
||||
|
||||
#ifdef FFT_SGI
|
||||
#if defined(FFT_SGI)
|
||||
free(plan->coeff1);
|
||||
free(plan->coeff2);
|
||||
free(plan->coeff3);
|
||||
#endif
|
||||
#ifdef FFT_SCSL
|
||||
#elif defined(FFT_SCSL)
|
||||
free(plan->coeff1);
|
||||
free(plan->coeff2);
|
||||
free(plan->coeff3);
|
||||
free(plan->work1);
|
||||
free(plan->work2);
|
||||
free(plan->work3);
|
||||
#endif
|
||||
#ifdef FFT_INTEL
|
||||
#elif defined(FFT_ACML)
|
||||
free(plan->coeff1);
|
||||
free(plan->coeff2);
|
||||
free(plan->coeff3);
|
||||
#endif
|
||||
#ifdef FFT_T3E
|
||||
#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);
|
||||
#endif
|
||||
#ifdef FFT_FFTW
|
||||
if (plan->plan_slow_forward != plan->plan_mid_forward &&
|
||||
plan->plan_slow_forward != plan->plan_fast_forward) {
|
||||
#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);
|
||||
}
|
||||
|
|
@ -781,6 +981,25 @@ void fft_3d_destroy_plan(struct fft_plan_3d *plan)
|
|||
}
|
||||
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);
|
||||
|
|
@ -866,7 +1085,7 @@ void bifactor(int n, int *factor1, int *factor2)
|
|||
void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
|
||||
{
|
||||
int i,total,length,offset,num;
|
||||
double norm;
|
||||
FFT_SCALAR norm, *data_ptr;
|
||||
|
||||
// system specific constants
|
||||
|
||||
|
|
@ -897,6 +1116,12 @@ void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
|
|||
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;
|
||||
|
|
@ -911,8 +1136,7 @@ void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
|
|||
FFT_1D(flag,length2,&data[offset],1,plan->coeff2);
|
||||
for (offset = 0; offset < total3; offset += length3)
|
||||
FFT_1D(flag,length3,&data[offset],1,plan->coeff3);
|
||||
#endif
|
||||
#ifdef FFT_SCSL
|
||||
#elif defined(FFT_SCSL)
|
||||
for (offset = 0; offset < total1; offset += length1)
|
||||
FFT_1D(flag,length1,scalef,&data[offset],&data[offset],plan->coeff1,
|
||||
plan->work1,&isys);
|
||||
|
|
@ -922,16 +1146,32 @@ void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
|
|||
for (offset = 0; offset < total3; offset += length3)
|
||||
FFT_1D(flag,length3,scalef,&data[offset],&data[offset],plan->coeff3,
|
||||
plan->work3,&isys);
|
||||
#endif
|
||||
#ifdef FFT_INTEL
|
||||
#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 (offset = 0; offset < total1; offset += length1)
|
||||
FFT_1D(&data[offset],&length1,&flag,plan->coeff1);
|
||||
for (offset = 0; offset < total2; offset += length2)
|
||||
FFT_1D(&data[offset],&length2,&flag,plan->coeff2);
|
||||
for (offset = 0; offset < total3; offset += length3)
|
||||
FFT_1D(&data[offset],&length3,&flag,plan->coeff3);
|
||||
#endif
|
||||
#ifdef FFT_DEC
|
||||
#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 (offset = 0; offset < total1; offset += length1)
|
||||
FFT_1D(&c,&c,&f,&data[offset],&data[offset],&length1,&one);
|
||||
|
|
@ -947,8 +1187,7 @@ void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
|
|||
for (offset = 0; offset < total3; offset += length3)
|
||||
FFT_1D(&c,&c,&b,&data[offset],&data[offset],&length3,&one);
|
||||
}
|
||||
#endif
|
||||
#ifdef FFT_T3E
|
||||
#elif defined(FFT_T3E)
|
||||
for (offset = 0; offset < total1; offset += length1)
|
||||
FFT_1D(&flag,&length1,&scalef,&data[offset],&data[offset],plan->coeff1,
|
||||
plan->work1,&isys);
|
||||
|
|
@ -958,8 +1197,7 @@ void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
|
|||
for (offset = 0; offset < total3; offset += length3)
|
||||
FFT_1D(&flag,&length3,&scalef,&data[offset],&data[offset],plan->coeff3,
|
||||
plan->work3,&isys);
|
||||
#endif
|
||||
#ifdef FFT_FFTW
|
||||
#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);
|
||||
|
|
@ -969,6 +1207,39 @@ void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
|
|||
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 (offset = 0; offset < total1; offset += length1)
|
||||
kiss_fft(plan->cfg_fast_forward,&data[offset],&data[offset]);
|
||||
for (offset = 0; offset < total2; offset += length2)
|
||||
kiss_fft(plan->cfg_mid_forward,&data[offset],&data[offset]);
|
||||
for (offset = 0; offset < total3; offset += length3)
|
||||
kiss_fft(plan->cfg_slow_forward,&data[offset],&data[offset]);
|
||||
} else {
|
||||
for (offset = 0; offset < total1; offset += length1)
|
||||
kiss_fft(plan->cfg_fast_backward,&data[offset],&data[offset]);
|
||||
for (offset = 0; offset < total2; offset += length2)
|
||||
kiss_fft(plan->cfg_mid_backward,&data[offset],&data[offset]);
|
||||
for (offset = 0; offset < total3; offset += length3)
|
||||
kiss_fft(plan->cfg_slow_backward,&data[offset],&data[offset]);
|
||||
}
|
||||
#endif
|
||||
|
||||
// scaling if required
|
||||
|
|
@ -978,9 +1249,17 @@ void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
|
|||
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
|
||||
|
|
|
|||
|
|
@ -1,4 +1,4 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
/* -*- c++ -*- ----------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
|
@ -16,7 +16,19 @@
|
|||
// 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)
|
||||
|
||||
#ifdef FFT_SINGLE
|
||||
#define FFT_PRECISION 1
|
||||
typedef float FFT_SCALAR;
|
||||
#else
|
||||
#define FFT_PRECISION 2
|
||||
typedef double FFT_SCALAR;
|
||||
#endif
|
||||
|
||||
|
||||
// set default fftw library. switch to FFT_FFTW3 when convenient.
|
||||
#ifdef FFT_FFTW
|
||||
#define FFT_FFTW2
|
||||
#endif
|
||||
|
||||
// -------------------------------------------------------------------------
|
||||
|
||||
|
|
@ -24,7 +36,7 @@
|
|||
|
||||
#if FFT_PRECISION == 1
|
||||
|
||||
#ifdef FFT_SGI
|
||||
#if defined(FFT_SGI)
|
||||
#include "fft.h"
|
||||
typedef complex FFT_DATA;
|
||||
#define FFT_1D cfft1d
|
||||
|
|
@ -34,9 +46,7 @@ extern "C" {
|
|||
FFT_DATA *cfft1di(int, FFT_DATA *);
|
||||
}
|
||||
|
||||
#endif
|
||||
|
||||
#ifdef FFT_SCSL
|
||||
#elif defined(FFT_SCSL)
|
||||
#include <scsl_fft.h>
|
||||
typedef scsl_complex FFT_DATA;
|
||||
typedef float FFT_PREC;
|
||||
|
|
@ -47,9 +57,17 @@ extern "C" {
|
|||
FFT_PREC *, FFT_PREC *, int *);
|
||||
}
|
||||
|
||||
#endif
|
||||
#elif defined(FFT_ACML)
|
||||
typedef struct {
|
||||
float re;
|
||||
float im;
|
||||
} FFT_DATA;
|
||||
#define FFT_1D cfft1m_
|
||||
extern "C" {
|
||||
void cfft1m_(int *, int *, int *, FFT_DATA *, FFT_DATA *, int *);
|
||||
}
|
||||
|
||||
#ifdef FFT_INTEL
|
||||
#elif defined(FFT_INTEL)
|
||||
typedef struct {
|
||||
float re;
|
||||
float im;
|
||||
|
|
@ -59,9 +77,13 @@ typedef struct {
|
|||
extern "C" {
|
||||
void cfft1d_(FFT_DATA *, int *, int *, FFT_DATA *);
|
||||
}
|
||||
#endif
|
||||
|
||||
#ifdef FFT_DEC
|
||||
#elif defined(FFT_MKL)
|
||||
#include "mkl_dfti.h"
|
||||
typedef float _Complex FFT_DATA;
|
||||
#define FFT_MKL_PREC DFTI_SINGLE
|
||||
|
||||
#elif defined(FFT_DEC)
|
||||
typedef struct {
|
||||
float re;
|
||||
float im;
|
||||
|
|
@ -70,9 +92,8 @@ typedef struct {
|
|||
extern "C" {
|
||||
void cfft_(char *, char *, char *, FFT_DATA *, FFT_DATA *, int *, int *);
|
||||
}
|
||||
#endif
|
||||
|
||||
#ifdef FFT_T3E
|
||||
#elif defined(FFT_T3E)
|
||||
#include <complex.h>
|
||||
typedef complex single FFT_DATA;
|
||||
#define FFT_1D GGFFT
|
||||
|
|
@ -81,29 +102,43 @@ extern "C" {
|
|||
void GGFFT(int *, int *, double *, FFT_DATA *, FFT_DATA *,
|
||||
double *, double *, int *);
|
||||
}
|
||||
#endif
|
||||
|
||||
#ifdef FFT_FFTW
|
||||
#elif defined(FFT_FFTW2)
|
||||
#if defined(FFTW_SIZE)
|
||||
#include "sfftw.h"
|
||||
#else
|
||||
#include "fftw.h"
|
||||
#endif
|
||||
typedef FFTW_COMPLEX FFT_DATA;
|
||||
#endif
|
||||
|
||||
#ifdef FFT_NONE
|
||||
#elif defined(FFT_FFTW3)
|
||||
#include "fftw3.h"
|
||||
typedef fftwf_complex FFT_DATA;
|
||||
#define FFTW_API(function) fftwf_ ## function
|
||||
|
||||
#else
|
||||
|
||||
/* use a stripped down version of kiss fft as default fft */
|
||||
#ifndef FFT_KISSFFT
|
||||
#define FFT_KISSFFT
|
||||
#endif
|
||||
#define kiss_fft_scalar float
|
||||
typedef struct {
|
||||
float re;
|
||||
float im;
|
||||
kiss_fft_scalar re;
|
||||
kiss_fft_scalar im;
|
||||
} FFT_DATA;
|
||||
#endif
|
||||
|
||||
struct kiss_fft_state;
|
||||
typedef struct kiss_fft_state* kiss_fft_cfg;
|
||||
#endif
|
||||
|
||||
// -------------------------------------------------------------------------
|
||||
|
||||
// Data types for double-precision complex
|
||||
|
||||
#if FFT_PRECISION == 2
|
||||
#elif FFT_PRECISION == 2
|
||||
|
||||
#ifdef FFT_SGI
|
||||
#if defined(FFT_SGI)
|
||||
#include "fft.h"
|
||||
typedef zomplex FFT_DATA;
|
||||
#define FFT_1D zfft1d
|
||||
|
|
@ -112,9 +147,8 @@ extern "C" {
|
|||
int zfft1d(int, int, FFT_DATA *, int, FFT_DATA *);
|
||||
FFT_DATA *zfft1di(int, FFT_DATA *);
|
||||
}
|
||||
#endif
|
||||
|
||||
#ifdef FFT_SCSL
|
||||
#elif defined(FFT_SCSL)
|
||||
#include <scsl_fft.h>
|
||||
typedef scsl_zomplex FFT_DATA;
|
||||
typedef double FFT_PREC;
|
||||
|
|
@ -124,9 +158,18 @@ extern "C" {
|
|||
int zzfft(int, int, FFT_PREC, FFT_DATA *, FFT_DATA *,
|
||||
FFT_PREC *, FFT_PREC *, int *);
|
||||
}
|
||||
#endif
|
||||
|
||||
#ifdef FFT_INTEL
|
||||
#elif defined(FFT_ACML)
|
||||
typedef struct {
|
||||
double re;
|
||||
double im;
|
||||
} FFT_DATA;
|
||||
#define FFT_1D zfft1m_
|
||||
extern "C" {
|
||||
void zfft1m_(int *, int *, int *, FFT_DATA *, FFT_DATA *, int *);
|
||||
}
|
||||
|
||||
#elif defined(FFT_INTEL)
|
||||
typedef struct {
|
||||
double re;
|
||||
double im;
|
||||
|
|
@ -136,9 +179,13 @@ typedef struct {
|
|||
extern "C" {
|
||||
void zfft1d_(FFT_DATA *, int *, int *, FFT_DATA *);
|
||||
}
|
||||
#endif
|
||||
|
||||
#ifdef FFT_DEC
|
||||
#elif defined(FFT_MKL)
|
||||
#include "mkl_dfti.h"
|
||||
typedef double _Complex FFT_DATA;
|
||||
#define FFT_MKL_PREC DFTI_DOUBLE
|
||||
|
||||
#elif defined(FFT_DEC)
|
||||
typedef struct {
|
||||
double re;
|
||||
double im;
|
||||
|
|
@ -147,9 +194,8 @@ typedef struct {
|
|||
extern "C" {
|
||||
void zfft_(char *, char *, char *, FFT_DATA *, FFT_DATA *, int *, int *);
|
||||
}
|
||||
#endif
|
||||
|
||||
#ifdef FFT_T3E
|
||||
#elif defined(FFT_T3E)
|
||||
#include <complex.h>
|
||||
typedef complex double FFT_DATA;
|
||||
#define FFT_1D CCFFT
|
||||
|
|
@ -158,20 +204,38 @@ extern "C" {
|
|||
void CCFFT(int *, int *, double *, FFT_DATA *, FFT_DATA *,
|
||||
double *, double *, int *);
|
||||
}
|
||||
#endif
|
||||
|
||||
#ifdef FFT_FFTW
|
||||
#elif defined(FFT_FFTW2)
|
||||
#if defined(FFTW_SIZE)
|
||||
#include "dfftw.h"
|
||||
#else
|
||||
#include "fftw.h"
|
||||
#endif
|
||||
typedef FFTW_COMPLEX FFT_DATA;
|
||||
#endif
|
||||
|
||||
#ifdef FFT_NONE
|
||||
#elif defined(FFT_FFTW3)
|
||||
#include "fftw3.h"
|
||||
typedef fftw_complex FFT_DATA;
|
||||
#define FFTW_API(function) fftw_ ## function
|
||||
|
||||
#else
|
||||
|
||||
/* use a stripped down version of kiss fft as default fft */
|
||||
#ifndef FFT_KISSFFT
|
||||
#define FFT_KISSFFT
|
||||
#endif
|
||||
#define kiss_fft_scalar double
|
||||
typedef struct {
|
||||
double re;
|
||||
double im;
|
||||
kiss_fft_scalar re;
|
||||
kiss_fft_scalar im;
|
||||
} FFT_DATA;
|
||||
|
||||
struct kiss_fft_state;
|
||||
typedef struct kiss_fft_state* kiss_fft_cfg;
|
||||
#endif
|
||||
|
||||
#else
|
||||
#error "FFT_PRECISION needs to be either 1 (=single) or 2 (=double)"
|
||||
#endif
|
||||
|
||||
// -------------------------------------------------------------------------
|
||||
|
|
@ -194,39 +258,57 @@ struct fft_plan_3d {
|
|||
double norm; // normalization factor for rescaling
|
||||
|
||||
// system specific 1d FFT info
|
||||
#ifdef FFT_SGI
|
||||
#if defined(FFT_SGI)
|
||||
FFT_DATA *coeff1;
|
||||
FFT_DATA *coeff2;
|
||||
FFT_DATA *coeff3;
|
||||
#endif
|
||||
#ifdef FFT_SCSL
|
||||
#elif defined(FFT_SCSL)
|
||||
FFT_PREC *coeff1;
|
||||
FFT_PREC *coeff2;
|
||||
FFT_PREC *coeff3;
|
||||
FFT_PREC *work1;
|
||||
FFT_PREC *work2;
|
||||
FFT_PREC *work3;
|
||||
#endif
|
||||
#ifdef FFT_INTEL
|
||||
#elif defined(FFT_ACML)
|
||||
FFT_DATA *coeff1;
|
||||
FFT_DATA *coeff2;
|
||||
FFT_DATA *coeff3;
|
||||
#endif
|
||||
#ifdef FFT_T3E
|
||||
#elif defined(FFT_INTEL)
|
||||
FFT_DATA *coeff1;
|
||||
FFT_DATA *coeff2;
|
||||
FFT_DATA *coeff3;
|
||||
#elif defined(FFT_MKL)
|
||||
DFTI_DESCRIPTOR *handle_fast;
|
||||
DFTI_DESCRIPTOR *handle_mid;
|
||||
DFTI_DESCRIPTOR *handle_slow;
|
||||
#elif defined(FFT_T3E)
|
||||
double *coeff1;
|
||||
double *coeff2;
|
||||
double *coeff3;
|
||||
double *work1;
|
||||
double *work2;
|
||||
double *work3;
|
||||
#endif
|
||||
#ifdef FFT_FFTW
|
||||
#elif defined(FFT_FFTW2)
|
||||
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;
|
||||
#elif defined(FFT_FFTW3)
|
||||
FFTW_API(plan) plan_fast_forward;
|
||||
FFTW_API(plan) plan_fast_backward;
|
||||
FFTW_API(plan) plan_mid_forward;
|
||||
FFTW_API(plan) plan_mid_backward;
|
||||
FFTW_API(plan) plan_slow_forward;
|
||||
FFTW_API(plan) plan_slow_backward;
|
||||
#elif defined(FFT_KISSFFT)
|
||||
kiss_fft_cfg cfg_fast_forward;
|
||||
kiss_fft_cfg cfg_fast_backward;
|
||||
kiss_fft_cfg cfg_mid_forward;
|
||||
kiss_fft_cfg cfg_mid_backward;
|
||||
kiss_fft_cfg cfg_slow_forward;
|
||||
kiss_fft_cfg cfg_slow_backward;
|
||||
#endif
|
||||
};
|
||||
|
||||
|
|
|
|||
|
|
@ -42,14 +42,14 @@ FFT3d::~FFT3d()
|
|||
|
||||
/* ---------------------------------------------------------------------- */
|
||||
|
||||
void FFT3d::compute(double *in, double *out, int flag)
|
||||
void FFT3d::compute(FFT_SCALAR *in, FFT_SCALAR *out, int flag)
|
||||
{
|
||||
fft_3d((FFT_DATA *) in,(FFT_DATA *) out,flag,plan);
|
||||
}
|
||||
|
||||
/* ---------------------------------------------------------------------- */
|
||||
|
||||
void FFT3d::timing1d(double *in, int nsize, int flag)
|
||||
void FFT3d::timing1d(FFT_SCALAR *in, int nsize, int flag)
|
||||
{
|
||||
fft_1d_only((FFT_DATA *) in,nsize,flag,plan);
|
||||
}
|
||||
|
|
|
|||
|
|
@ -1,4 +1,4 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
/* -*- c++ -*- ----------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
|
@ -24,8 +24,8 @@ class FFT3d : protected Pointers {
|
|||
FFT3d(class LAMMPS *, MPI_Comm,int,int,int,int,int,int,int,int,int,
|
||||
int,int,int,int,int,int,int,int,int *);
|
||||
~FFT3d();
|
||||
void compute(double *, double *, int);
|
||||
void timing1d(double *, int, int);
|
||||
void compute(FFT_SCALAR *, FFT_SCALAR *, int);
|
||||
void timing1d(FFT_SCALAR *, int, int);
|
||||
|
||||
private:
|
||||
struct fft_plan_3d *plan;
|
||||
|
|
|
|||
Loading…
Reference in New Issue