PmePencilY Class Reference

#include <PmeSolver.h>

Inheritance diagram for PmePencilY:

Public Member Functions
PmePencilY_SDAG_CODE	PmePencilY ()
	PmePencilY (CkMigrateMessage *m)
virtual	~PmePencilY ()

Protected Member Functions
void	initBlockSizes ()

Protected Attributes
PmeGrid	pmeGrid
bool	doEnergy
bool	doVirial
int	simulationStep
std::array< FFTCompute *, NUM_GRID_MAX >	fftComputes
std::array< PmeTranspose *, NUM_GRID_MAX >	pmeTransposes
std::vector< int >	blockSizes
Lattice	lattice
int	numStrayAtoms
int	imsg

Detailed Description

Definition at line 228 of file PmeSolver.h.

Constructor & Destructor Documentation

PmePencilY() [1/2]

PmePencilY::PmePencilY

(

)

Definition at line 506 of file PmeSolver.C.

References fftComputes, NUM_GRID_MAX, numStrayAtoms, and pmeTransposes.

                       {
  __sdag_init();
  setMigratable(false);
  for (unsigned int iGrid = 0; iGrid < NUM_GRID_MAX; ++iGrid) {
    pmeTransposes[iGrid] = NULL;
    fftComputes[iGrid] = NULL;
  }
  numStrayAtoms = 0;
}

PmePencilY() [2/2]

PmePencilY::PmePencilY

(

CkMigrateMessage *

m

)

Definition at line 516 of file PmeSolver.C.

References NAMD_bug().

                                          {
  NAMD_bug("PmePencilY cannot be migrated");
  // __sdag_init();
  // setMigratable(false);
  // fftCompute = NULL;
  // pmeTranspose = NULL;
}

~PmePencilY()

PmePencilY::~PmePencilY ( )

virtual

Definition at line 524 of file PmeSolver.C.

References fftComputes, NUM_GRID_MAX, and pmeTransposes.

                        {
  for (unsigned int iGrid = 0; iGrid < NUM_GRID_MAX; ++iGrid) {
    if (pmeTransposes[iGrid] != NULL) delete pmeTransposes[iGrid];
    if (fftComputes[iGrid] != NULL) delete fftComputes[iGrid];
  }
}

Member Function Documentation

initBlockSizes()

void PmePencilY::initBlockSizes ( )

protected

Definition at line 559 of file PmeSolver.C.

References blockSizes, getBlockDim(), Perm_Y_Z_cX, pmeGrid, and PmeGrid::yBlocks.

                                {
  blockSizes.resize(pmeGrid.yBlocks);
  for (int y=0;y < pmeGrid.yBlocks;y++) {
    int i0, i1, j0, j1, k0, k1;
    getBlockDim(pmeGrid, Perm_Y_Z_cX, y, thisIndex.z, thisIndex.x,
      i0, i1, j0, j1, k0, k1);
    int size = (i1-i0+1)*(j1-j0+1)*(k1-k0+1);
    blockSizes[y] = size;
  }
}

Member Data Documentation

blockSizes

std::vector<int> PmePencilY::blockSizes

protected

Definition at line 240 of file PmeSolver.h.

Referenced by initBlockSizes().

doEnergy

bool PmePencilY::doEnergy

protected

Definition at line 236 of file PmeSolver.h.

doVirial

bool PmePencilY::doVirial

protected

Definition at line 236 of file PmeSolver.h.

fftComputes

std::array<FFTCompute*, NUM_GRID_MAX> PmePencilY::fftComputes

protected

Definition at line 238 of file PmeSolver.h.

Referenced by PmePencilY(), and ~PmePencilY().

imsg

int PmePencilY::imsg

protected

Definition at line 244 of file PmeSolver.h.

lattice

Lattice PmePencilY::lattice

protected

Definition at line 241 of file PmeSolver.h.

numStrayAtoms

int PmePencilY::numStrayAtoms

protected

Definition at line 242 of file PmeSolver.h.

Referenced by PmePencilY().

pmeGrid

PmeGrid PmePencilY::pmeGrid

protected

Definition at line 235 of file PmeSolver.h.

Referenced by initBlockSizes().

pmeTransposes

std::array<PmeTranspose*, NUM_GRID_MAX> PmePencilY::pmeTransposes

protected

Definition at line 239 of file PmeSolver.h.

Referenced by PmePencilY(), and ~PmePencilY().

simulationStep

int PmePencilY::simulationStep

protected

Definition at line 237 of file PmeSolver.h.

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

• PmeSolver.h
• PmeSolver.C