ComputeConsForceCUDA.h

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#ifndef COMPUTECONSFORCECUDA_H
#define COMPUTECONSFORCECUDA_H

#ifdef NAMD_CUDA
#include <cuda.h>
#endif
#ifdef NAMD_HIP
#include <hip/hip_runtime.h>
#endif

#include <vector>
#include "PatchMap.h"
#include "AtomMap.h"
#include "Lattice.h"
#include "CudaUtils.h"
#include "CudaRecord.h"
#include "HipDefines.h"


#if defined(NAMD_CUDA) || defined(NAMD_HIP)
#ifdef NODEGROUP_FORCE_REGISTER

class ComputeConsForceCUDA {
public:
  ComputeConsForceCUDA(
                       std::vector<HomePatch*> &patchList,
                       std::vector<AtomMap*> &atomMapList,
                       bool mGpuOn
  );

  void updateConsForceAtoms(
                            std::vector<AtomMap*> &atomMapsLists,
                            std::vector<CudaLocalRecord> &localRecords,
                            const int* h_globalToLocalID
                            );

  ~ComputeConsForceCUDA();

  void doForce( const Lattice lat,
    bool doVirial,
    double* d_pos_x,
    double* d_pos_y,
    double* d_pos_z,
    double* f_normal_x,
    double* f_normal_y,
    double* f_normal_z,
    char3* d_transform,
    double3* d_netForce,
    double3* h_netForce,
    cudaTensor* d_virial,
    cudaTensor* h_virial,
    cudaStream_t stream
                );
private:
  int nConsForceAtoms;
  bool mGpuOn;
  bool resetVirial;
  std::vector<double3> h_consForce;
  std::vector<int> h_consForceID;
  std::vector<int> h_consForceSOA;
  std::vector<int> consForceLocalAtomsIndex;
  std::map<int,int> consAtomsIndexMap;
  int* d_consForceID;
  int* d_consForceSOA;
  double3* d_consForce;
  unsigned int* d_tbcatomic; 
};

#endif
#endif
#endif