ComputeLonepairsCUDA.C File Reference

#include "ComputeLonepairsCUDA.h"
#include "CudaUtils.h"
#include "ProcessorPrivate.h"
#include "AtomMap.h"
#include "HomePatch.h"
#include "Node.h"
#include "Molecule.h"
#include "DeviceCUDA.h"
#include "ComputeLonepairsCUDAKernel.h"
#include <string>
#include <cmath>

Go to the source code of this file.

Functions
int	globalAtomIDToSOAID (std::vector< AtomMap *> &atomMapsList, const std::vector< CudaLocalRecord > &localRecords, const int *globalToLocalID, AtomID aid, bool errorOnNotFound)

Variables
__thread DeviceCUDA *	deviceCUDA

Function Documentation

globalAtomIDToSOAID()

int globalAtomIDToSOAID	(	std::vector< AtomMap *> &	atomMapsList,
		const std::vector< CudaLocalRecord > &	localRecords,
		const int *	globalToLocalID,
		AtomID	aid,
		bool	errorOnNotFound
	)

Definition at line 37 of file ComputeLonepairsCUDA.C.

References deviceCUDA, DeviceCUDA::getMasterPe(), and NAMD_bug().

Referenced by ComputeLonepairsCUDA::updateAtoms().

                                                                {
  LocalID lid{-1, -1};
  for (int j = 0; j < atomMapsList.size(); ++j) {
    if (atomMapsList[j] == NULL) continue;
    lid = atomMapsList[j]->localID(aid);
    if (lid.pid != -1) break;
  }
  if (errorOnNotFound && (lid.pid == -1)) {
    const std::string error = "Atom " + std::to_string(aid) + " not found in master PE " + std::to_string(deviceCUDA->getMasterPe());
    NAMD_bug(error.c_str());
    return -1;
  }
  const int soaPid = globalToLocalID[lid.pid];
  const int soaIndex = localRecords[soaPid].bufferOffset + lid.index;
  return soaIndex;
}

Variable Documentation

deviceCUDA

__thread DeviceCUDA* deviceCUDA

Definition at line 23 of file DeviceCUDA.C.

Referenced by globalAtomIDToSOAID().