CollectionMgr Class Reference

#include <CollectionMgr.h>

Inheritance diagram for CollectionMgr:

Classes
class	CollectVectorInstance
class	CollectVectorSequence

Public Member Functions
	CollectionMgr (SlaveInitMsg *msg)
	~CollectionMgr (void)
void	submitPositions (int seq, FullAtomList &a, Lattice l, int prec, int dcdSelectionIndex)
void	submitVelocities (int seq, int zero, FullAtomList &a, int prec)
void	submitForces (int seq, FullAtomList &a, int maxForceUsed, ForceList *f, int prec)
void	sendDataStream (const char *)
CkChareID	getMasterChareID ()

Static Public Member Functions
static CollectionMgr *	Object ()

Detailed Description

Definition at line 26 of file CollectionMgr.h.

Constructor & Destructor Documentation

CollectionMgr()

CollectionMgr::CollectionMgr

(

SlaveInitMsg *

msg

)

Definition at line 22 of file CollectionMgr.C.

References DebugM, and master.

                                              : master(msg->master)
{
  delete msg;
  if (CkpvAccess(CollectionMgr_instance) == 0) {
    CkpvAccess(CollectionMgr_instance) = this;
  } else {
    DebugM(1, "CollectionMgr::CollectionMgr() - another instance of CollectionMgr exists!\n");
  }
}

~CollectionMgr()

CollectionMgr::~CollectionMgr

(

void

)

Definition at line 33 of file CollectionMgr.C.

{
}

Member Function Documentation

getMasterChareID()

CkChareID CollectionMgr::getMasterChareID ( )

inline

Definition at line 43 of file CollectionMgr.h.

Referenced by ParallelIOMgr::initialize().

{ return master; }  

Object()

static CollectionMgr* CollectionMgr::Object ( )

inlinestatic

Definition at line 30 of file CollectionMgr.h.

Referenced by ComputeStir::doForce(), datastream::endd(), and ParallelIOMgr::initialize().

                                 { 
    return CkpvAccess(CollectionMgr_instance); 
  }

sendDataStream()

void CollectionMgr::sendDataStream

(

const char *

data

)

Definition at line 452 of file CollectionMgr.C.

References ResizeArray< Elem >::begin(), DataStreamMsg::data, and ResizeArray< Elem >::resize().

Referenced by ComputeStir::doForce(), and datastream::endd().

                                                   {
  DataStreamMsg *msg = new DataStreamMsg;
  msg->data.resize(strlen(data)+1);
  strcpy(msg->data.begin(),data);
  CProxy_CollectionMaster cm(master);
  cm.receiveDataStream(msg);
}

submitForces()

void CollectionMgr::submitForces	(	int	seq,
		FullAtomList &	a,
		int	maxForceUsed,
		ForceList *	f,
		int	prec
	)

Definition at line 399 of file CollectionMgr.C.

References CollectVectorMsg::aid, CollectionMgr::CollectVectorInstance::aid, CollectVectorMsg::aid_size, ResizeArray< Elem >::begin(), CollectVectorMsg::data, CollectionMgr::CollectVectorInstance::data, CollectVectorMsg::data_size, CollectVectorMsg::fdata, CollectionMgr::CollectVectorInstance::fdata, CollectVectorMsg::fdata_size, SimParameters::fixedAtomsForceOutput, CollectionMgr::CollectVectorInstance::free(), Node::Object(), CollectionMaster::receiveForces(), CollectVectorMsg::seq, CollectionMgr::CollectVectorInstance::seq, Node::simParameters, ResizeArray< Elem >::size(), and CollectionMgr::CollectVectorSequence::submitData().

Referenced by Sequencer::submitCollections(), and Sequencer::submitCollections_SOA().

{
  int numAtoms = a.size();
  AtomIDList aid(numAtoms);
  ForceList d(numAtoms);
  for ( int i=0; i<numAtoms; ++i ) {
    aid[i] = a[i].id;
    d[i] = 0.;
  }
  for ( int j=0; j<=maxForceUsed; ++j ) {
    Force *fptr = f[j].begin();
    for ( int i=0; i<numAtoms; ++i ) {
      d[i] += fptr[i];
    }
  }
  if ( Node::Object()->simParameters->fixedAtomsOn && !Node::Object()->simParameters->fixedAtomsForceOutput) {
    for ( int i=0; i<numAtoms; ++i ) {
      if ( a[i].atomFixed ) d[i] = 0.;
    }
  }
  CollectVectorInstance *c;
  if ( ( c = forces.submitData(seq,aid,d,prec) ) )
  {
    int aid_size = c->aid.size();
    int data_size = c->data.size();
    int fdata_size = c->fdata.size();
    CollectVectorMsg *msg = new (aid_size, data_size, fdata_size, 0) CollectVectorMsg;
    msg->seq = c->seq;
    msg->aid_size = aid_size;
    msg->data_size = data_size;
    msg->fdata_size = fdata_size;
    memcpy(msg->aid,c->aid.begin(),aid_size*sizeof(AtomID));
    memcpy(msg->data,c->data.begin(),data_size*sizeof(Vector));
    memcpy(msg->fdata,c->fdata.begin(),fdata_size*sizeof(FloatVector));
#ifdef NODEGROUP_FORCE_REGISTER
    if (Node::Object()->simParameters->CUDASOAintegrate) {
      CProxy_PatchData cpdata(CkpvAccess(BOCclass_group).patchData);
      CollectionMaster *pcm = cpdata.ckLocalBranch()->ptrCollectionMaster;
      pcm->lock();
      pcm->receiveForces(msg);
      pcm->unlock();
    }
    else
#endif
    {
      CProxy_CollectionMaster cm(master);
      cm.receiveForces(msg);
    }
    c->free();
  }
}

submitPositions()

void CollectionMgr::submitPositions	(	int	seq,
		FullAtomList &	a,
		Lattice	l,
		int	prec,
		int	dcdSelectionIndex
	)

Definition at line 268 of file CollectionMgr.C.

References CollectVectorMsg::aid, CollectionMgr::CollectVectorInstance::aid, CollectVectorMsg::aid_size, CollectVectorMsg::data, CollectVectorMsg::data_size, DebugM, CollectVectorMsg::fdata, CollectVectorMsg::fdata_size, CollectVectorMsg::index, Node::Object(), CollectionMaster::receivePositions(), CollectionMaster::receivePositionsDcdSelection(), Lattice::reverse_transform(), CollectVectorMsg::seq, Node::simParameters, simParams, ResizeArray< Elem >::size(), and CollectionMgr::CollectVectorSequence::submitData().

Referenced by Sequencer::submitCollections(), and Sequencer::submitCollections_SOA().

{
  int numAtomsTotal = a.size();
  int numAtomsDcdSelection = 0;
  int numAtoms;
  int dcdSelectionindex=dcdSelectiontag-1;
  if(prec == 4) // count up the selection intersection in this atomlist
    {
      int bitmask = 1 << dcdSelectionindex;
      for ( int i=0; i<numAtomsTotal; ++i ) {
        if(a[i].flags.dcdSelection & bitmask)
          numAtomsDcdSelection++;
      }
      numAtoms = numAtomsDcdSelection;
    }
  else
    {
      numAtoms = numAtomsTotal;
    }
  AtomIDList aid(numAtoms);
  PositionList d(numAtoms);
  if(prec == 4)
    {
      // only load atoms in the selection list
      int selectionCounter=0;
      int bitmask = 1 << dcdSelectionindex;
      DebugM(3,"seq " << seq << " prec " << prec <<" numAtomsTotal " << numAtomsTotal<< " dcdSelectionIndex "<< dcdSelectionindex <<" bitmask "<< bitmask <<"\n");
      for (int i=0; i<numAtomsTotal; ++i ) {
        if(a[i].flags.dcdSelection & bitmask)
          {
            aid[selectionCounter] = a[i].id;
            d[selectionCounter] = l.reverse_transform(a[i].position,a[i].transform);
            ++selectionCounter;
          }
      }
      DebugM(3, "["<<CkMyPe()<<"]"<< " selection count "<<selectionCounter<<"\n");
    }
  else
    {
      for ( int i=0; i<numAtoms; ++i ) {
        aid[i] = a[i].id;
        d[i] = l.reverse_transform(a[i].position,a[i].transform);
      }
    }
  auto c= positions.submitData(seq,aid,d,prec) ;
  if ( c )
  {
    int aid_size = c->aid.size();
    int data_size = c->data.size();
    int fdata_size = c->fdata.size();
    CollectVectorMsg *msg
      = new (aid_size, data_size, fdata_size,0) CollectVectorMsg;
    msg->index=dcdSelectionindex;

    msg->seq = c->seq;
    msg->aid_size = aid_size;
    msg->data_size = data_size;
    msg->fdata_size = fdata_size;
    DebugM(3, "["<<CkMyPe()<<"]"<< " msg index "<<msg->index<< " fdata_size " << msg->fdata_size<<"\n");
    memcpy(msg->aid,c->aid.begin(),aid_size*sizeof(AtomID));
    memcpy(msg->data,c->data.begin(),data_size*sizeof(Vector));
    memcpy(msg->fdata,c->fdata.begin(),fdata_size*sizeof(FloatVector));
#ifdef NODEGROUP_FORCE_REGISTER
    SimParameters *simParams = Node::Object()->simParameters;
    if (simParams->CUDASOAintegrate && simParams->GPUresidentSingleProcessMode) {
      CProxy_PatchData cpdata(CkpvAccess(BOCclass_group).patchData);
      CollectionMaster *pcm = cpdata.ckLocalBranch()->ptrCollectionMaster;
      pcm->lock();
      if(prec == 4)
        pcm->receivePositionsDcdSelection(msg);
      else
        pcm->receivePositions(msg);
      pcm->unlock();
    }
    else
#endif
    {
      CProxy_CollectionMaster cm(master);
      if(prec == 4)
        cm.receivePositionsDcdSelection(msg);
      else
        cm.receivePositions(msg);
    }
    c->free();
  }
}

submitVelocities()

void CollectionMgr::submitVelocities	(	int	seq,
		int	zero,
		FullAtomList &	a,
		int	prec
	)

Definition at line 356 of file CollectionMgr.C.

References CollectVectorMsg::aid, CollectionMgr::CollectVectorInstance::aid, CollectVectorMsg::aid_size, ResizeArray< Elem >::begin(), CollectVectorMsg::data, CollectionMgr::CollectVectorInstance::data, CollectVectorMsg::data_size, CollectVectorMsg::fdata, CollectionMgr::CollectVectorInstance::fdata, CollectVectorMsg::fdata_size, CollectionMgr::CollectVectorInstance::free(), Node::Object(), CollectionMaster::receiveVelocities(), CollectVectorMsg::seq, CollectionMgr::CollectVectorInstance::seq, Node::simParameters, simParams, ResizeArray< Elem >::size(), and CollectionMgr::CollectVectorSequence::submitData().

Referenced by Sequencer::submitCollections(), and Sequencer::submitCollections_SOA().

{
  int numAtoms = a.size();
  AtomIDList aid(numAtoms);
  PositionList d(numAtoms);
  for ( int i=0; i<numAtoms; ++i ) {
    aid[i] = a[i].id;
    if ( zero ) d[i] = 0.;
    else d[i] = a[i].velocity;
  }
  CollectVectorInstance *c;
  if ( ( c = velocities.submitData(seq,aid,d,prec) ) )
  {
    int aid_size = c->aid.size();
    int data_size = c->data.size();
    int fdata_size = c->fdata.size();
    CollectVectorMsg *msg = new (aid_size, data_size, fdata_size, 0) CollectVectorMsg;
    msg->seq = c->seq;
    msg->aid_size = aid_size;
    msg->data_size = data_size;
    msg->fdata_size = fdata_size;
    memcpy(msg->aid,c->aid.begin(),aid_size*sizeof(AtomID));
    memcpy(msg->data,c->data.begin(),data_size*sizeof(Vector));
    memcpy(msg->fdata,c->fdata.begin(),fdata_size*sizeof(FloatVector));
#ifdef NODEGROUP_FORCE_REGISTER
    SimParameters *simParams = Node::Object()->simParameters;
    if (simParams->CUDASOAintegrate && simParams->GPUresidentSingleProcessMode) {
      CProxy_PatchData cpdata(CkpvAccess(BOCclass_group).patchData);
      CollectionMaster *pcm = cpdata.ckLocalBranch()->ptrCollectionMaster;
      pcm->lock();
      pcm->receiveVelocities(msg);
      pcm->unlock();
    }
    else
#endif
    {
      CProxy_CollectionMaster cm(master);
      cm.receiveVelocities(msg);
    }
    c->free();
  }
}

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

• CollectionMgr.h
• CollectionMgr.C