PatchData Class Reference

#include <PatchData.h>

Inheritance diagram for PatchData:

Public Member Functions
	PatchData ()
	~PatchData ()
void	setDeviceKernelUpdateCounter ()

Public Attributes
cudaTensor *	d_langevinPiston_strainRate
cudaTensor *	d_langevinPiston_origStrainRate
cudaTensor *	d_strainRate_old
cudaTensor *	d_positionRescaleFactor
NodeReduction *	reduction
NodeReduction *	nodeReductionSave
Flags	flags
Controller *	c_out
Lattice *	lat
Tensor *	factor
Vector *	origin
CollectionMaster *	ptrCollectionMaster
Output *	ptrOutput
IMDOutput *	imd
PDB *	pdb
ScriptTcl *	script
CmiNodeLock	printlock

Detailed Description

Definition at line 115 of file PatchData.h.

Constructor & Destructor Documentation

PatchData()

PatchData::PatchData

(

)

Definition at line 49 of file PatchData.C.

References imd, nodeReductionSave, pdb, printlock, ptrCollectionMaster, ptrOutput, and reduction.

                     {
  ptrCollectionMaster = NULL;
  ptrOutput = NULL;
  imd = NULL;
  pdb = NULL;

  reduction = new NodeReduction();
  nodeReductionSave = new NodeReduction();
#ifdef NODEGROUP_FORCE_REGISTER
  cudaBondedList = new ComputeBondedCUDA*[CkNumPes()];
  cudaNonbondedList = new CudaComputeNonbonded*[CkNumPes()];
  printlock = CmiCreateLock();
  nodeLock = CmiCreateLock();
  suspendCounter.store(CmiMyNodeSize());
  updateCounter.store(0);  
#endif
}

~PatchData()

PatchData::~PatchData

(

)

Definition at line 73 of file PatchData.C.

References nodeReductionSave, and reduction.

                      {
  delete reduction;
  delete nodeReductionSave;
#ifdef NODEGROUP_FORCE_REGISTER
  free(h_soa_fb_x);
  free(h_soa_fb_y);
  free(h_soa_fb_z);
  free(h_soa_fn_x);
  free(h_soa_fn_y);
  free(h_soa_fn_z);
  free(h_soa_fs_x);
  free(h_soa_fs_y);
  free(h_soa_fs_z);
  free(h_soa_pos_x);
  free(h_soa_pos_y);
  free(h_soa_pos_z);
  free(h_soa_vel_x);
  free(h_soa_vel_y);
  free(h_soa_vel_z);

  free(h_soa_charge);

  // Device Migration
  free(h_soa_id);
  free(h_soa_vdwType);
  free(h_soa_sortOrder);
  free(h_soa_unsortOrder);
  free(h_soa_patchCenter);
  free(h_soa_migrationDestination);
  free(h_soa_sortSoluteIndex);

  free(h_atomdata_AoS);
  free(h_peer_record);

  free(h_soa_partition);

  free(h_tupleCount.bond);
  free(h_tupleCount.angle);
  free(h_tupleCount.dihedral);
  free(h_tupleCount.improper);
  free(h_tupleCount.modifiedExclusion);
  free(h_tupleCount.exclusion);
  free(h_tupleCount.crossterm);
  free(h_tupleOffset.bond);
  free(h_tupleOffset.angle);
  free(h_tupleOffset.dihedral);
  free(h_tupleOffset.improper);
  free(h_tupleOffset.modifiedExclusion);
  free(h_tupleOffset.exclusion);
  free(h_tupleOffset.crossterm);
  free(h_tupleDataStage.bond);
  free(h_tupleDataStage.angle);
  free(h_tupleDataStage.dihedral);
  free(h_tupleDataStage.improper);
  free(h_tupleDataStage.modifiedExclusion);
  free(h_tupleDataStage.exclusion);
  free(h_tupleDataStage.crossterm);
  CmiDestroyLock(nodeLock);

#endif
}

Member Function Documentation

setDeviceKernelUpdateCounter()

void PatchData::setDeviceKernelUpdateCounter

(

)

Definition at line 67 of file PatchData.C.

                                            {
#ifdef NODEGROUP_FORCE_REGISTER  
  updateCounter.store(devData.size());
#endif  
}

Member Data Documentation

c_out

Controller* PatchData::c_out

Definition at line 141 of file PatchData.h.

d_langevinPiston_origStrainRate

cudaTensor* PatchData::d_langevinPiston_origStrainRate

Definition at line 126 of file PatchData.h.

d_langevinPiston_strainRate

cudaTensor* PatchData::d_langevinPiston_strainRate

Definition at line 125 of file PatchData.h.

d_positionRescaleFactor

cudaTensor* PatchData::d_positionRescaleFactor

Definition at line 128 of file PatchData.h.

d_strainRate_old

cudaTensor* PatchData::d_strainRate_old

Definition at line 127 of file PatchData.h.

factor

Tensor* PatchData::factor

Definition at line 144 of file PatchData.h.

flags

Flags PatchData::flags

Definition at line 138 of file PatchData.h.

imd

IMDOutput* PatchData::imd

Definition at line 150 of file PatchData.h.

Referenced by PatchData().

lat

Lattice* PatchData::lat

Definition at line 143 of file PatchData.h.

nodeReductionSave

NodeReduction* PatchData::nodeReductionSave

Definition at line 135 of file PatchData.h.

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

origin

Vector* PatchData::origin

Definition at line 145 of file PatchData.h.

pdb

PDB* PatchData::pdb

Definition at line 151 of file PatchData.h.

Referenced by PatchData().

printlock

CmiNodeLock PatchData::printlock

Definition at line 157 of file PatchData.h.

Referenced by PatchData().

ptrCollectionMaster

CollectionMaster* PatchData::ptrCollectionMaster

Definition at line 148 of file PatchData.h.

Referenced by PatchData().

ptrOutput

Output* PatchData::ptrOutput

Definition at line 149 of file PatchData.h.

Referenced by PatchData().

reduction

NodeReduction* PatchData::reduction

Definition at line 133 of file PatchData.h.

Referenced by colvarproxy_namd::colvarproxy_namd(), ComputeGlobal::ComputeGlobal(), CudaPmeOneDevice::finishReduction(), ComputePmeCUDA::initialize(), CudaComputeNonbonded::initialize(), PatchData(), PmePencilXYZ::PmePencilXYZ(), PmePencilZ::PmePencilZ(), and ~PatchData().

script

ScriptTcl* PatchData::script

Definition at line 154 of file PatchData.h.

Referenced by after_backend_init(), and Node::getScript().

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

• PatchData.h
• PatchData.C