Compute Class Reference

#include <Compute.h>

Inheritance diagram for Compute:

Public Member Functions
	Compute (ComputeID)
int	type ()
virtual	~Compute ()
void	setNumPatches (int n)
int	getNumPatches ()
virtual void	initialize ()
virtual void	atomUpdate ()
virtual void	patchReady (PatchID, int doneMigration, int seq)
virtual int	noWork ()
virtual void	doWork ()
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)

Public Attributes
const ComputeID	cid
LDObjHandle	ldObjHandle
LocalWorkMsg *const	localWorkMsg

Protected Member Functions
void	enqueueWork ()

Protected Attributes
int	computeType
int	basePriority
int	gbisPhase
int	gbisPhasePriority [3]

Detailed Description

Definition at line 28 of file Compute.h.

Constructor & Destructor Documentation

Compute::Compute

(

ComputeID

c

)

Definition at line 33 of file Compute.C.

References computeType, gbisPhasePriority, LdbIdField(), ldObjHandle, ComputeMap::Object(), and ComputeMap::type().

                            : gbisPhase(1),basePriority(0), cid(c),
        localWorkMsg(new (PRIORITY_SIZE) LocalWorkMsg) { 
  gbisPhasePriority[0] = 0;
  gbisPhasePriority[1] = 0;
  gbisPhasePriority[2] = 0;
  doAtomUpdate = false;
  computeType = ComputeMap::Object()->type(c);
  LdbIdField(ldObjHandle.id, 0) = 0;
}

Compute::~Compute ( )

virtual

Definition at line 43 of file Compute.C.

References localWorkMsg.

                  {
  delete localWorkMsg;
}

Member Function Documentation

virtual void Compute::atomUpdate ( void  )

inlinevirtual

Reimplemented in ComputeHomeTuples< T, S, P >, ComputeHomeTuples< AngleElem, Angle, AngleValue >, ComputeHomeTuples< CrosstermElem, Crossterm, CrosstermValue >, ComputeHomeTuples< GromacsPairElem, GromacsPair, GromacsPairValue >, ComputeHomeTuples< DihedralElem, Dihedral, DihedralValue >, ComputeHomeTuples< DihedralElem, Dihedral, DihedralValue >, ComputeHomeTuples< AngleElem, Angle, AngleValue >, ComputeHomeTuples< TholeElem, Thole, TholeValue >, ComputeHomeTuples< ImproperElem, Improper, ImproperValue >, ComputeHomeTuples< CrosstermElem, Crossterm, CrosstermValue >, ComputeHomeTuples< BondElem, Bond, BondValue >, ComputeHomeTuples< AnisoElem, Aniso, AnisoValue >, ComputeHomeTuples< ExclElem, Exclusion, int >, ComputeHomeTuples< GromacsPairElem, GromacsPair, GromacsPairValue >, ComputeHomeTuples< TholeElem, Thole, TholeValue >, CudaComputeNonbonded, ComputeLCPO, ComputeHomePatches, ComputeNonbondedCUDA, ComputeNonbondedMIC, ComputePme, ComputeHomePatch, ComputePatchPair, ComputePatch, and ComputePmeCUDA.

Definition at line 59 of file Compute.h.

Referenced by ComputeHomePatches::atomUpdate(), and patchReady().

{};

void Compute::doWork ( void  )

virtual

Reimplemented in ComputeHomeTuples< T, S, P >, ComputeHomeTuples< AngleElem, Angle, AngleValue >, ComputeHomeTuples< CrosstermElem, Crossterm, CrosstermValue >, ComputeHomeTuples< GromacsPairElem, GromacsPair, GromacsPairValue >, ComputeHomeTuples< DihedralElem, Dihedral, DihedralValue >, ComputeHomeTuples< DihedralElem, Dihedral, DihedralValue >, ComputeHomeTuples< AngleElem, Angle, AngleValue >, ComputeHomeTuples< TholeElem, Thole, TholeValue >, ComputeHomeTuples< ImproperElem, Improper, ImproperValue >, ComputeHomeTuples< CrosstermElem, Crossterm, CrosstermValue >, ComputeHomeTuples< BondElem, Bond, BondValue >, ComputeHomeTuples< AnisoElem, Aniso, AnisoValue >, ComputeHomeTuples< ExclElem, Exclusion, int >, ComputeHomeTuples< GromacsPairElem, GromacsPair, GromacsPairValue >, ComputeHomeTuples< TholeElem, Thole, TholeValue >, ComputeSelfTuples< T, S, P >, ComputeSelfTuples< AnisoElem, Aniso, AnisoValue >, ComputeSelfTuples< AngleElem, Angle, AngleValue >, ComputeSelfTuples< GromacsPairElem, GromacsPair, GromacsPairValue >, ComputeSelfTuples< ExclElem, Exclusion, int >, ComputeSelfTuples< DihedralElem, Dihedral, DihedralValue >, ComputeSelfTuples< ImproperElem, Improper, ImproperValue >, ComputeSelfTuples< BondElem, Bond, BondValue >, ComputeSelfTuples< CrosstermElem, Crossterm, CrosstermValue >, ComputeSelfTuples< TholeElem, Thole, TholeValue >, CudaComputeNonbonded, ComputeQM, ComputeLCPO, ComputeEwald, ComputeMoa, ComputeNonbondedCUDA, ComputeNonbondedMIC, ComputePme, ComputeGlobal, ComputeHomePatch, ComputePatchPair, ComputePatch, ComputeGBISser, ComputeMsm, ComputeTclBC, ComputePmeCUDA, ComputeExt, ComputeFmmSerial, ComputeFullDirect, and ComputeMsmSerial.

Definition at line 108 of file Compute.C.

References DebugM.

Referenced by WorkDistrib::enqueueAngles(), WorkDistrib::enqueueAniso(), WorkDistrib::enqueueBonds(), WorkDistrib::enqueueCrossterms(), WorkDistrib::enqueueCUDA(), WorkDistrib::enqueueCUDAP2(), WorkDistrib::enqueueCUDAP3(), WorkDistrib::enqueueDihedrals(), WorkDistrib::enqueueExcls(), WorkDistrib::enqueueGromacsPair(), WorkDistrib::enqueueImpropers(), WorkDistrib::enqueueLCPO(), WorkDistrib::enqueueMIC(), WorkDistrib::enqueuePme(), WorkDistrib::enqueueSelfA1(), WorkDistrib::enqueueSelfA2(), WorkDistrib::enqueueSelfA3(), WorkDistrib::enqueueSelfB1(), WorkDistrib::enqueueSelfB2(), WorkDistrib::enqueueSelfB3(), WorkDistrib::enqueueThole(), WorkDistrib::enqueueWork(), WorkDistrib::enqueueWorkA1(), WorkDistrib::enqueueWorkA2(), WorkDistrib::enqueueWorkA3(), WorkDistrib::enqueueWorkB1(), WorkDistrib::enqueueWorkB2(), WorkDistrib::enqueueWorkB3(), WorkDistrib::enqueueWorkC(), WorkDistrib::finishCUDA(), WorkDistrib::finishCUDAP2(), WorkDistrib::finishCUDAP3(), WorkDistrib::finishMIC(), WorkDistrib::messageEnqueueWork(), WorkDistrib::messageFinishCUDA(), and WorkDistrib::messageFinishMIC().

                     {
    DebugM(5,"Default Compute::doWork() called.\n");
}

void Compute::enqueueWork ( )

protected

Definition at line 47 of file Compute.C.

References DebugM, WorkDistrib::messageEnqueueWork(), and noWork().

Referenced by gbisP2PatchReady(), gbisP3PatchReady(), and patchReady().

                          {
  if (!this) { DebugM(4,"This Compute is NULL!!!\n"); }
  if ( ! noWork() ) {
    //gbisPhase = 1; //first phase - this should already be 1
    WorkDistrib::messageEnqueueWork(this);  // should be in ComputeMgr?
  } else {
    //don't enqueue work
  }
}

void Compute::finishPatch ( int  )

virtual

Reimplemented in ComputeNonbondedCUDA.

Definition at line 112 of file Compute.C.

References DebugM.

Referenced by WorkDistrib::finishCUDAPatch().

                             {
    DebugM(5,"Default Compute::finishPatch() called.\n");
}

void Compute::gbisP2PatchReady ( PatchID  pid, int  seq  )

virtual

Reimplemented in CudaComputeNonbonded.

Definition at line 84 of file Compute.C.

References enqueueWork().

Referenced by CudaComputeNonbonded::gbisP2PatchReady().

                                                   {

  if (! --patchReadyCounter) {
    patchReadyCounter = numPatches;
    //gbisPhase = 2;
    sequenceNumber = seq;
    enqueueWork();
  }
}

void Compute::gbisP3PatchReady ( PatchID  pid, int  seq  )

virtual

Reimplemented in CudaComputeNonbonded.

Definition at line 94 of file Compute.C.

References enqueueWork().

Referenced by CudaComputeNonbonded::gbisP3PatchReady().

                                                   {
  if (! --patchReadyCounter) {
    patchReadyCounter = numPatches;
    //gbisPhase = 3;
    sequenceNumber = seq;
    enqueueWork();
  }
}

int Compute::getGBISPhase ( void  )

inline

Definition at line 66 of file Compute.h.

References gbisPhase.

Referenced by WorkDistrib::messageEnqueueWork(), WorkDistrib::messageFinishCUDA(), and WorkDistrib::messageFinishMIC().

{return gbisPhase;}

int Compute::getNumPatches ( )

inline

Definition at line 53 of file Compute.h.

Referenced by CudaComputeNonbonded::assignPatches(), ComputeLCPO::ComputeLCPO(), ComputePmeCUDA::ComputePmeCUDA(), ComputeLCPO::doWork(), ComputePmeCUDA::initialize(), ComputePmeCUDA::noWork(), CudaComputeNonbonded::openBoxesOnPe(), CudaComputeNonbonded::skipPatchesOnPe(), ComputePmeCUDA::storePmeForceMsg(), ComputeLCPO::~ComputeLCPO(), and ComputePmeCUDA::~ComputePmeCUDA().

{ return (numPatches); };

virtual void Compute::initialize ( void  )

inlinevirtual

Reimplemented in ComputeHomeTuples< T, S, P >, ComputeHomeTuples< AngleElem, Angle, AngleValue >, ComputeHomeTuples< CrosstermElem, Crossterm, CrosstermValue >, ComputeHomeTuples< GromacsPairElem, GromacsPair, GromacsPairValue >, ComputeHomeTuples< DihedralElem, Dihedral, DihedralValue >, ComputeHomeTuples< DihedralElem, Dihedral, DihedralValue >, ComputeHomeTuples< AngleElem, Angle, AngleValue >, ComputeHomeTuples< TholeElem, Thole, TholeValue >, ComputeHomeTuples< ImproperElem, Improper, ImproperValue >, ComputeHomeTuples< CrosstermElem, Crossterm, CrosstermValue >, ComputeHomeTuples< BondElem, Bond, BondValue >, ComputeHomeTuples< AnisoElem, Aniso, AnisoValue >, ComputeHomeTuples< ExclElem, Exclusion, int >, ComputeHomeTuples< GromacsPairElem, GromacsPair, GromacsPairValue >, ComputeHomeTuples< TholeElem, Thole, TholeValue >, ComputeSelfTuples< T, S, P >, ComputeSelfTuples< AnisoElem, Aniso, AnisoValue >, ComputeSelfTuples< AngleElem, Angle, AngleValue >, ComputeSelfTuples< GromacsPairElem, GromacsPair, GromacsPairValue >, ComputeSelfTuples< ExclElem, Exclusion, int >, ComputeSelfTuples< DihedralElem, Dihedral, DihedralValue >, ComputeSelfTuples< ImproperElem, Improper, ImproperValue >, ComputeSelfTuples< BondElem, Bond, BondValue >, ComputeSelfTuples< CrosstermElem, Crossterm, CrosstermValue >, ComputeSelfTuples< TholeElem, Thole, TholeValue >, CudaComputeNonbonded, ComputeQM, ComputeLCPO, ComputeHomePatches, ComputePme, ComputeHomePatch, ComputePatchPair, ComputeNonbondedSelf, ComputePatch, ComputeNonbondedPair, and ComputePmeCUDA.

Definition at line 56 of file Compute.h.

Referenced by ComputePatch::initialize(), ComputePatchPair::initialize(), ComputeHomePatch::initialize(), and ComputeLCPO::initialize().

{};

int Compute::noWork ( )

virtual

Reimplemented in CudaComputeNonbonded, ComputeLCPO, ComputeNonbondedCUDA, ComputeNonbondedMIC, ComputePme, ComputeNonbondedSelf, ComputeNonbondedPair, and ComputePmeCUDA.

Definition at line 104 of file Compute.C.

Referenced by enqueueWork().

                    {
  return 0;
}

void Compute::patchReady ( PatchID  patchID, int  doneMigration, int  seq  )

virtual

Reimplemented in CudaComputeNonbonded.

Definition at line 63 of file Compute.C.

References atomUpdate(), DebugM, and enqueueWork().

Referenced by CudaComputeNonbonded::patchReady(), ComputeMgr::recvNonbondedCUDASlaveReady(), and ComputeMgr::recvNonbondedMICSlaveReady().

                                                                    { 
  if (doneMigration) { // If any patch has done migration - we must remap
    doAtomUpdate = true; 
  }

  if (numPatches <= 0) {
      DebugM(5,"Compute::patchReady("<<patchID<<")-call not valid!\n");
  } else {
    if (! --patchReadyCounter) {
      patchReadyCounter = numPatches;
      //gbisPhase = 1;
      sequenceNumber = seq;  // breaks CUDA priority if done earlier
      if (doAtomUpdate) {
        atomUpdate();
        doAtomUpdate = false;
      }
      enqueueWork();
    }
  }
}

int Compute::priority ( void  )

inline

Definition at line 65 of file Compute.h.

References basePriority, gbisPhase, and gbisPhasePriority.

Referenced by ComputeNonbondedCUDA::finishWork(), CudaComputeNonbonded::initialize(), WorkDistrib::messageEnqueueWork(), WorkDistrib::messageFinishCUDA(), WorkDistrib::messageFinishMIC(), and cptr_sortop_priority::operator()().

{ return basePriority+gbisPhasePriority[gbisPhase-1]; }

int Compute::sequence ( void  )

inline

Definition at line 64 of file Compute.h.

Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), ComputeGBISser::doWork(), ComputeMsm::doWork(), ComputePme::doWork(), ComputeNonbondedCUDA::doWork(), ComputeNonbondedCUDA::finishWork(), WorkDistrib::messageEnqueueWork(), WorkDistrib::messageFinishCUDA(), WorkDistrib::messageFinishMIC(), ComputeNonbondedCUDA::messageFinishPatch(), ComputeNonbondedCUDA::noWork(), ComputeNonbondedCUDA::recvYieldDevice(), ComputeMgr::sendFinishPatchesOnPe(), ComputeMgr::sendFinishPatchOnPe(), ComputeMgr::sendOpenBoxesOnPe(), and ComputePme::ungridForces().

{ return sequenceNumber; }

void Compute::setNumPatches ( int  n )

inline

Definition at line 52 of file Compute.h.

Referenced by CudaComputeNonbonded::assignPatches(), ComputeHomePatch::ComputeHomePatch(), ComputeLCPO::ComputeLCPO(), ComputePatch::ComputePatch(), ComputePatchPair::ComputePatchPair(), ComputePme::ComputePme(), ComputePmeCUDA::ComputePmeCUDA(), ComputeHomePatches::initialize(), and ComputeNonbondedCUDA::registerPatches().

{ patchReadyCounter = numPatches = n; }

int Compute::type ( )

inline

Definition at line 48 of file Compute.h.

References computeType.

Referenced by WorkDistrib::messageEnqueueWork(), ComputeMgr::sendNonbondedCUDASlaveEnqueue(), and ComputeMgr::sendNonbondedMICSlaveEnqueue().

{ return computeType; };

Member Data Documentation

int Compute::basePriority

protected

Definition at line 37 of file Compute.h.

Referenced by ComputeNonbondedCUDA::ComputeNonbondedCUDA(), ComputePme::ComputePme(), ComputePme::doWork(), ComputeNonbondedCUDA::doWork(), ComputeNonbondedCUDA::finishReductions(), ComputePatch::initialize(), ComputeHomePatch::initialize(), ComputePatchPair::initialize(), ComputeLCPO::initialize(), and priority().

const ComputeID Compute::cid

Definition at line 43 of file Compute.h.

Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), ComputePme::doWork(), ComputeNonbondedPair::initialize(), ComputeNonbondedSelf::initialize(), ComputePatch::initialize(), ComputeHomePatch::initialize(), ComputePatchPair::initialize(), WorkDistrib::messageEnqueueWork(), ComputeMgr::recvCreateNonbondedCUDASlave(), ComputeMgr::recvCreateNonbondedMICSlave(), Patch::registerAvgPositionPickup(), Patch::registerBornRadPickup(), Patch::registerDEdaSumDeposit(), Patch::registerDHdrPrefixPickup(), Patch::registerForceDeposit(), Patch::registerIntRadPickup(), Patch::registerLcpoTypePickup(), Patch::registerPositionPickup(), Patch::registerPsiSumDeposit(), Patch::registerVelocityPickup(), ComputeMgr::sendNonbondedCUDASlaveEnqueue(), ComputeMgr::sendNonbondedMICSlaveEnqueue(), Patch::unregisterAvgPositionPickup(), Patch::unregisterPositionPickup(), Patch::unregisterVelocityPickup(), ComputeHomePatch::~ComputeHomePatch(), ComputeLCPO::~ComputeLCPO(), ComputePatch::~ComputePatch(), and ComputePatchPair::~ComputePatchPair().

int Compute::computeType

protected

Definition at line 36 of file Compute.h.

Referenced by Compute(), ComputePatch::doWork(), ComputePatchPair::doWork(), and type().

int Compute::gbisPhase

protected

Definition at line 39 of file Compute.h.

Referenced by ComputePatch::ComputePatch(), ComputePatchPair::ComputePatchPair(), CudaComputeNonbonded::CudaComputeNonbonded(), ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), ComputePatch::doWork(), ComputePatchPair::doWork(), ComputeNonbondedCUDA::doWork(), CudaComputeNonbonded::doWork(), ComputeNonbondedCUDA::finishWork(), getGBISPhase(), CudaComputeNonbonded::launchWork(), ComputeNonbondedPair::noWork(), ComputeNonbondedSelf::noWork(), ComputeNonbondedCUDA::noWork(), priority(), and ComputeNonbondedCUDA::recvYieldDevice().

int Compute::gbisPhasePriority[3]

protected

Definition at line 40 of file Compute.h.

Referenced by Compute(), ComputePatch::initialize(), ComputePatchPair::initialize(), and priority().

LDObjHandle Compute::ldObjHandle

Definition at line 44 of file Compute.h.

Referenced by Compute(), ComputePatch::doWork(), ComputePatchPair::doWork(), ComputeLCPO::doWork(), LdbCoordinator::initialize(), ComputeNonbondedPair::noWork(), ComputeNonbondedSelf::noWork(), ComputeLCPO::noWork(), and ComputeMgr::updateLocalComputes().

LocalWorkMsg* const Compute::localWorkMsg

Definition at line 46 of file Compute.h.

Referenced by WorkDistrib::enqueueAngles(), WorkDistrib::enqueueAniso(), WorkDistrib::enqueueBonds(), WorkDistrib::enqueueCrossterms(), WorkDistrib::enqueueDihedrals(), WorkDistrib::enqueueExcls(), WorkDistrib::enqueueGromacsPair(), WorkDistrib::enqueueImpropers(), WorkDistrib::enqueueLCPO(), WorkDistrib::enqueuePme(), WorkDistrib::enqueueSelfA1(), WorkDistrib::enqueueSelfA2(), WorkDistrib::enqueueSelfA3(), WorkDistrib::enqueueSelfB1(), WorkDistrib::enqueueSelfB2(), WorkDistrib::enqueueSelfB3(), WorkDistrib::enqueueThole(), WorkDistrib::enqueueWork(), WorkDistrib::enqueueWorkA1(), WorkDistrib::enqueueWorkA2(), WorkDistrib::enqueueWorkA3(), WorkDistrib::enqueueWorkB1(), WorkDistrib::enqueueWorkB2(), WorkDistrib::enqueueWorkB3(), WorkDistrib::enqueueWorkC(), WorkDistrib::messageEnqueueWork(), WorkDistrib::messageFinishCUDA(), WorkDistrib::messageFinishMIC(), ComputePmeCUDADevice::sendForcesToPatch(), ComputeMgr::sendNonbondedCUDASlaveEnqueue(), ComputeMgr::sendNonbondedMICSlaveEnqueue(), and ~Compute().

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

• Compute.h
• Compute.C