ComputePmeCUDA Class Reference

#include <ComputePmeCUDA.h>

Inheritance diagram for ComputePmeCUDA:

Public Member Functions
	ComputePmeCUDA (ComputeID c, PatchIDList &pids)
	ComputePmeCUDA (ComputeID c, PatchID pid)
virtual	~ComputePmeCUDA ()
void	initialize ()
void	atomUpdate ()
int	noWork ()
void	doWork ()
bool	storePmeForceMsg (PmeForceMsg *msg)
Public Member Functions inherited from Compute
	Compute (ComputeID)
int	type ()
virtual	~Compute ()
void	setNumPatches (int n)
int	getNumPatches ()
virtual void	patchReady (PatchID, int doneMigration, int seq)
virtual void	finishPatch (int)
int	sequence (void)
int	priority (void)
int	getGBISPhase (void)
virtual void	gbisP2PatchReady (PatchID, int seq)
virtual void	gbisP3PatchReady (PatchID, int seq)

Additional Inherited Members
Public Attributes inherited from Compute
const ComputeID	cid
LDObjHandle	ldObjHandle
LocalWorkMsg *const	localWorkMsg
Protected Member Functions inherited from Compute
void	enqueueWork ()
Protected Attributes inherited from Compute
int	computeType
int	basePriority
int	gbisPhase
int	gbisPhasePriority [3]

Detailed Description

Definition at line 17 of file ComputePmeCUDA.h.

Constructor & Destructor Documentation

ComputePmeCUDA() [1/2]

ComputePmeCUDA::ComputePmeCUDA	(	ComputeID	c,
		PatchIDList &	pids
	)

Definition at line 25 of file ComputePmeCUDA.C.

References Compute::getNumPatches(), Compute::setNumPatches(), and ResizeArray< Elem >::size().

                                                             : Compute(c) {
  setNumPatches(pids.size());
  patches.resize(getNumPatches());
  for (int i=0;i < getNumPatches();i++) {
    patches[i].patchID = pids[i];
  }
  selfEnergy = 0;
  selfEnergyFEP = 0;
  selfEnergyTI1 = 0;
  selfEnergyTI2 = 0;
}

ComputePmeCUDA() [2/2]

ComputePmeCUDA::ComputePmeCUDA	(	ComputeID	c,
		PatchID	pid
	)

Definition at line 40 of file ComputePmeCUDA.C.

References Compute::getNumPatches(), and Compute::setNumPatches().

                                                       : Compute(c) {
        setNumPatches(1);
  patches.resize(getNumPatches());
  patches[0].patchID = pid;
  selfEnergy = 0;
  selfEnergyFEP = 0;
  selfEnergyTI1 = 0;
  selfEnergyTI2 = 0;
}

~ComputePmeCUDA()

ComputePmeCUDA::~ComputePmeCUDA ( )

virtual

Definition at line 53 of file ComputePmeCUDA.C.

References Compute::getNumPatches(), PatchMap::Object(), PatchMap::patch(), Patch::unregisterAvgPositionPickup(), Patch::unregisterForceDeposit(), and Patch::unregisterPositionPickup().

                                {
  for (int i=0;i < getNumPatches();i++) {
        if (patches[i].positionBox != NULL) {
                PatchMap::Object()->patch(patches[i].patchID)->unregisterPositionPickup(this, &patches[i].positionBox);
    }
    if (patches[i].avgPositionBox != NULL) {
        PatchMap::Object()->patch(patches[i].patchID)->unregisterAvgPositionPickup(this, &patches[i].avgPositionBox);
    }
    if (patches[i].forceBox != NULL) {
        PatchMap::Object()->patch(patches[i].patchID)->unregisterForceDeposit(this, &patches[i].forceBox);
    }
  }
  delete reduction;
  CmiDestroyLock(lock);
}

Member Function Documentation

atomUpdate()

void ComputePmeCUDA::atomUpdate ( void  )

virtual

Reimplemented from Compute.

Definition at line 112 of file ComputePmeCUDA.C.

                                {
  atomsChanged = true;
}

doWork()

void ComputePmeCUDA::doWork ( void  )

virtual

Reimplemented from Compute.

Definition at line 156 of file ComputePmeCUDA.C.

References NAMD_EVENT_START, and NAMD_EVENT_STOP.

                            {
  NAMD_EVENT_START(1, NamdProfileEvent::COMPUTE_PME_CUDA);

  if (sendAtomsDone) {
    // Second part of computation: receive forces from ComputePmeCUDAMgr
    // basePriority = PME_OFFLOAD_PRIORITY;
    sendAtomsDone = false;
    recvForces();
  } else {
    // First part of computation: send atoms to ComputePmeCUDAMgr
    sendAtomsDone = true;
    // basePriority = COMPUTE_HOME_PRIORITY + PATCH_PRIORITY(patchID);
    sendAtoms();
  }
  NAMD_EVENT_STOP(1, NamdProfileEvent::COMPUTE_PME_CUDA);
}

initialize()

void ComputePmeCUDA::initialize ( void  )

virtual

Reimplemented from Compute.

Definition at line 72 of file ComputePmeCUDA.C.

References Compute::getNumPatches(), ComputePmeCUDAMgr::getPmeGrid(), NAMD_bug(), PatchMap::Object(), Node::Object(), ReductionMgr::Object(), PatchData::reduction, REDUCTIONS_BASIC, Node::simParameters, simParams, and ReductionMgr::willSubmit().

                                {
  lock = CmiCreateLock();

  // Sanity Check
  SimParameters *simParams = Node::Object()->simParameters;
  if (simParams->lesOn) NAMD_bug("ComputePmeCUDA::ComputePmeCUDA, lesOn not yet implemented");
  if (simParams->pairInteractionOn) NAMD_bug("ComputePmeCUDA::ComputePmeCUDA, pairInteractionOn not yet implemented");

  sendAtomsDone = false;
  reduction = ReductionMgr::Object()->willSubmit(REDUCTIONS_BASIC);
#ifdef NODEGROUP_FORCE_REGISTER
  CProxy_PatchData cpdata(CkpvAccess(BOCclass_group).patchData);
  PatchData *patchData = cpdata.ckLocalBranch();
  nodeReduction = patchData->reduction;
#endif
  // basePriority = PME_PRIORITY;
  patchCounter = getNumPatches();

  // Get proxy to ComputePmeCUDAMgr
  computePmeCUDAMgrProxy = CkpvAccess(BOCclass_group).computePmeCUDAMgr;
  mgr = computePmeCUDAMgrProxy.ckLocalBranch();
  if (mgr == NULL)
    NAMD_bug("ComputePmeCUDA::ComputePmeCUDA, unable to locate local branch of BOC entry computePmeCUDAMgr");
  pmeGrid = mgr->getPmeGrid();

  for (int i=0;i < getNumPatches();i++) {
    if (patches[i].positionBox != NULL || patches[i].avgPositionBox != NULL
      || patches[i].forceBox != NULL || patches[i].patch != NULL)
      NAMD_bug("ComputePmeCUDA::initialize() called twice or boxes not set to NULL");
    if (!(patches[i].patch = PatchMap::Object()->patch(patches[i].patchID))) {
      NAMD_bug("ComputePmeCUDA::initialize() patch not found");
    }
    patches[i].positionBox = patches[i].patch->registerPositionPickup(this);
    patches[i].forceBox = patches[i].patch->registerForceDeposit(this);
        patches[i].avgPositionBox = patches[i].patch->registerAvgPositionPickup(this);
  }

  setupActivePencils();
}

noWork()

int ComputePmeCUDA::noWork ( )

virtual

Reimplemented from Compute.

Definition at line 140 of file ComputePmeCUDA.C.

References Compute::getNumPatches(), and SubmitReduction::submit().

                           {

  if (patches[0].patch->flags.doFullElectrostatics) return 0;

  reduction->submit();

  for (int i=0;i < getNumPatches();i++) {
    patches[i].positionBox->skip();
    patches[i].forceBox->skip();
    // We only need to call skip() once
    if (patches[i].patchID == 0) computePmeCUDAMgrProxy[patches[i].homePencilNode].skip();
  }

  return 1;
}

storePmeForceMsg()

bool ComputePmeCUDA::storePmeForceMsg

(

PmeForceMsg *

msg

)

Definition at line 671 of file ComputePmeCUDA.C.

References Compute::getNumPatches(), and NAMD_bug().

Referenced by ComputePmeCUDADevice::sendForcesToPatch().

                                                      {
  bool done = false;
  int i;
  CmiLock(lock);
  patchCounter--;
  i = patchCounter;
  if (patchCounter == 0) {
    patchCounter = getNumPatches();
    done = true;
  }
  CmiUnlock(lock);
  if (patches[i].pmeForceMsg != NULL)
    NAMD_bug("ComputePmeCUDA::storePmeForceMsg, already contains message");
  patches[i].pmeForceMsg = msg;
  return done;
}

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

• ComputePmeCUDA.h
• ComputePmeCUDA.C