FFTCompute Class Reference

#include <PmeSolverUtil.h>

Inheritance diagram for FFTCompute:

Public Member Functions
	FFTCompute ()
void	init (float *dataSrc_in, int dataSrcSize_in, float *dataDst_in, int dataDstSize_in, int permutation, PmeGrid pmeGrid, int pmePencilType, int jblock, int kblock, int flags)
virtual	~FFTCompute ()
virtual void	forward ()=0
virtual void	backward ()=0
float *	getDataSrc ()
float *	getDataDst ()

Protected Attributes
int	jblock
int	kblock
int	isize
int	jsize
int	ksize
float *	dataSrc
float *	dataDst
int	dataSrcSize
int	dataDstSize
bool	dataSrcAllocated
bool	dataDstAllocated

Detailed Description

Definition at line 128 of file PmeSolverUtil.h.

Constructor & Destructor Documentation

FFTCompute()

FFTCompute::FFTCompute ( )

inline

Definition at line 130 of file PmeSolverUtil.h.

References dataDst, dataDstAllocated, dataDstSize, dataSrc, dataSrcAllocated, and dataSrcSize.

               {
    dataSrc = NULL;
    dataSrcSize = 0;
    dataSrcAllocated = false;
    dataDst = NULL;
    dataDstSize = 0;
    dataDstAllocated = false;
  }

~FFTCompute()

virtual FFTCompute::~FFTCompute ( )

inlinevirtual

Definition at line 216 of file PmeSolverUtil.h.

{}

Member Function Documentation

backward()

virtual void FFTCompute::backward ( )

pure virtual

Implemented in CudaFFTCompute.

forward()

virtual void FFTCompute::forward ( )

pure virtual

Implemented in CudaFFTCompute.

getDataDst()

float* FFTCompute::getDataDst ( )

inline

Definition at line 220 of file PmeSolverUtil.h.

References dataDst.

{return dataDst;}

getDataSrc()

float* FFTCompute::getDataSrc ( )

inline

Definition at line 219 of file PmeSolverUtil.h.

References dataSrc.

{return dataSrc;}

init()

void FFTCompute::init ( float *  dataSrc_in, int  dataSrcSize_in, float *  dataDst_in, int  dataDstSize_in, int  permutation, PmeGrid  pmeGrid, int  pmePencilType, int  jblock, int  kblock, int  flags  )

inline

Definition at line 138 of file PmeSolverUtil.h.

References dataDst, dataDstAllocated, dataDstSize, dataSrc, dataSrcAllocated, dataSrcSize, getPencilDim(), jblock, PmeGrid::K1, PmeGrid::K2, PmeGrid::K3, kblock, NAMD_bug(), Perm_cX_Y_Z, Perm_X_Y_Z, Perm_Y_Z_cX, Perm_Z_cX_Y, PmeGrid::xBlocks, PmeGrid::yBlocks, and PmeGrid::zBlocks.

                                                          {

    if (dataSrc_in != NULL && dataSrc_in == dataDst_in)
      NAMD_bug("FFTCompute::init, only out-of-place FFTs supported");

    int permutationDst = permutation;
    if (permutation == Perm_X_Y_Z) {
      permutationDst = Perm_cX_Y_Z;
    }

    if (dataSrc_in == NULL) {
      // Sets data and dataSize
      dataSrcSize = getDataSizeRequired(permutation, pmeGrid, jblock, kblock);
      dataSrc = allocateData(dataSrcSize);
      dataSrcAllocated = true;
    } else {
      if (dataSrcSize_in < getDataSizeRequired(permutation, pmeGrid, jblock, kblock))
        NAMD_bug("FFTCompute::init, invalid dataSrcSize_in");
      dataSrcSize = dataSrcSize_in;
      dataSrc = dataSrc_in;
      dataSrcAllocated = false;
    }

    if (dataDst_in == NULL) {
      // Sets data and dataSize
      dataDstSize = getDataSizeRequired(permutationDst, pmeGrid, jblock, kblock);
      dataDst = allocateData(dataDstSize);
      dataDstAllocated = true;
    } else {
      if (dataDstSize_in < getDataSizeRequired(permutationDst, pmeGrid, jblock, kblock))
        NAMD_bug("FFTCompute::init, invalid dataDstSize_in");
      dataDstSize = dataDstSize_in;
      dataDst = dataDst_in;
      dataDstAllocated = false;
    }

    // Final sanity check
    if (dataDst == NULL || dataSrc == NULL ||
      dataDstSize < getDataSizeRequired(permutationDst, pmeGrid, jblock, kblock) ||
      dataSrcSize < getDataSizeRequired(permutation, pmeGrid, jblock, kblock))
      NAMD_bug("FFTCompute::init, error setting up data buffers");

    // Now "data" is pointer to grid data with at least size getDataSizeRequired(...)
    if (pmePencilType == 3) {
      // 3D FFT
      if (pmeGrid.xBlocks != 1 || pmeGrid.yBlocks != 1 || pmeGrid.zBlocks != 1)
        NAMD_bug("FFTCompute::init, 3D FFT requires a single pencil");
      int n[3] = {pmeGrid.K1, pmeGrid.K2, pmeGrid.K3};
      plan3D(n, flags);
    } else if (pmePencilType == 1) {
      int i0, i1, j0, j1, k0, k1;
      getPencilDim(pmeGrid, permutation, jblock, kblock, i0, i1, j0, j1, k0, k1);
      int n[1] = {i1-i0+1};
      int howmany = (j1-j0+1)*(k1-k0+1);
      if (permutation == Perm_X_Y_Z) {
        plan1DX(n, howmany, flags);
      } else if (permutation == Perm_Y_Z_cX) {
        plan1DY(n, howmany, flags);
      } else if (permutation == Perm_Z_cX_Y) {
        plan1DZ(n, howmany, flags);
      } else {
        NAMD_bug("FFTCompute::init, invalid permutation");
      }
    } else if (pmePencilType == 2) {
      // 2D FFTs of xy planes
      int i0, i1, j0, j1, k0, k1;
      getPencilDim(pmeGrid, permutation, 0, kblock, i0, i1, j0, j1, k0, k1);
      int n[2] = {pmeGrid.K1, pmeGrid.K2};
      int howmany = k1-k0+1;
      plan2D(n, howmany, flags);
    } else {
      NAMD_bug("FFTCompute::init, invalid pmePencilType");
    }       
  }

Member Data Documentation

dataDst

float* FFTCompute::dataDst

protected

Definition at line 226 of file PmeSolverUtil.h.

Referenced by CudaFFTCompute::backward(), FFTCompute(), CudaFFTCompute::forward(), getDataDst(), init(), and CudaFFTCompute::~CudaFFTCompute().

dataDstAllocated

bool FFTCompute::dataDstAllocated

protected

Definition at line 232 of file PmeSolverUtil.h.

Referenced by FFTCompute(), init(), and CudaFFTCompute::~CudaFFTCompute().

dataDstSize

int FFTCompute::dataDstSize

protected

Definition at line 229 of file PmeSolverUtil.h.

Referenced by FFTCompute(), CudaFFTCompute::forward(), and init().

dataSrc

float* FFTCompute::dataSrc

protected

Definition at line 225 of file PmeSolverUtil.h.

Referenced by CudaFFTCompute::backward(), FFTCompute(), CudaFFTCompute::forward(), getDataSrc(), init(), and CudaFFTCompute::~CudaFFTCompute().

dataSrcAllocated

bool FFTCompute::dataSrcAllocated

protected

Definition at line 231 of file PmeSolverUtil.h.

Referenced by FFTCompute(), init(), and CudaFFTCompute::~CudaFFTCompute().

dataSrcSize

int FFTCompute::dataSrcSize

protected

Definition at line 228 of file PmeSolverUtil.h.

Referenced by CudaFFTCompute::backward(), FFTCompute(), and init().

isize

int FFTCompute::isize

protected

Definition at line 223 of file PmeSolverUtil.h.

jblock

int FFTCompute::jblock

protected

Definition at line 222 of file PmeSolverUtil.h.

Referenced by init().

jsize

int FFTCompute::jsize

protected

Definition at line 223 of file PmeSolverUtil.h.

kblock

int FFTCompute::kblock

protected

Definition at line 222 of file PmeSolverUtil.h.

Referenced by init().

ksize

int FFTCompute::ksize

protected

Definition at line 223 of file PmeSolverUtil.h.

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The documentation for this class was generated from the following file:

• PmeSolverUtil.h