PmePencilX Class Reference

#include <PmeSolver.h>

Inheritance diagram for PmePencilX:

Public Member Functions
PmePencilX_SDAG_CODE	PmePencilX ()
	PmePencilX (CkMigrateMessage *m)
virtual	~PmePencilX ()

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 200 of file PmeSolver.h.

Constructor & Destructor Documentation

PmePencilX() [1/2]

PmePencilX::PmePencilX

(

)

Definition at line 422 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;
}

PmePencilX() [2/2]

PmePencilX::PmePencilX

(

CkMigrateMessage *

m

)

Definition at line 432 of file PmeSolver.C.

References NAMD_bug().

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

~PmePencilX()

PmePencilX::~PmePencilX ( )

virtual

Definition at line 440 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 PmePencilX::initBlockSizes ( )

protected

Definition at line 475 of file PmeSolver.C.

References blockSizes, getBlockDim(), Perm_cX_Y_Z, pmeGrid, and PmeGrid::xBlocks.

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

Member Data Documentation

blockSizes

std::vector<int> PmePencilX::blockSizes

protected

Definition at line 212 of file PmeSolver.h.

Referenced by initBlockSizes().

doEnergy

bool PmePencilX::doEnergy

protected

Definition at line 208 of file PmeSolver.h.

doVirial

bool PmePencilX::doVirial

protected

Definition at line 208 of file PmeSolver.h.

fftComputes

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

protected

Definition at line 210 of file PmeSolver.h.

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

imsg

int PmePencilX::imsg

protected

Definition at line 216 of file PmeSolver.h.

lattice

Lattice PmePencilX::lattice

protected

Definition at line 213 of file PmeSolver.h.

numStrayAtoms

int PmePencilX::numStrayAtoms

protected

Definition at line 214 of file PmeSolver.h.

Referenced by PmePencilX().

pmeGrid

PmeGrid PmePencilX::pmeGrid

protected

Definition at line 207 of file PmeSolver.h.

Referenced by initBlockSizes().

pmeTransposes

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

protected

Definition at line 211 of file PmeSolver.h.

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

simulationStep

int PmePencilX::simulationStep

protected

Definition at line 209 of file PmeSolver.h.

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

• PmeSolver.h
• PmeSolver.C