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user_cuda.h
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Mon, Aug 26, 09:13

user_cuda.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
Original Version:
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
See the README file in the top-level LAMMPS directory.
-----------------------------------------------------------------------
USER-CUDA Package and associated modifications:
https://sourceforge.net/projects/lammpscuda/
Christian Trott, christian.trott@tu-ilmenau.de
Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
Theoretical Physics II, University of Technology Ilmenau, Germany
See the README file in the USER-CUDA directory.
This software is distributed under the GNU General Public License.
------------------------------------------------------------------------- */
#ifndef CUDA_H
#define CUDA_H
#include "pointers.h"
#include "cuda_shared.h"
#include "cuda_data.h"
#include "cuda_precision.h"
#include <map>
#ifdef _DEBUG
#define MYDBG(a) a
#else
#define MYDBG(a)
#endif
namespace LAMMPS_NS
{
class Cuda : protected Pointers
{
public:
Cuda(class LAMMPS*);
~Cuda();
//static void setDevice(class LAMMPS*);
void allocate();
void accelerator(int, char**);
void activate();
void setSharedDataZero();
void setSystemParams();
void setDomainParams();
void checkResize();
void evsetup_eatom_vatom(int eflag_atom, int vflag_atom);
void uploadAll();
void downloadAll();
void upload(int datamask);
void download(int datamask);
void downloadX();
class CudaNeighList* registerNeighborList(class NeighList* neigh_list);
void uploadAllNeighborLists();
void downloadAllNeighborLists();
void set_neighinit(int dist_check, double triggerneighsq) {
shared_data.atom.dist_check = dist_check;
shared_data.atom.triggerneighsq = triggerneighsq;
}
bool decide_by_integrator() {
return neighbor_decide_by_integrator && cu_xhold && finished_setup;
}
void update_xhold(int &maxhold, double* xhold);
void setTimingsZero();
void print_timings();
void cu_x_download() {
cu_x->download();
}
bool device_set;
bool dotiming;
bool dotestatom;
int testatom;
double uploadtime, downloadtime;
bool finished_setup, begin_setup;
bool oncpu;
bool finished_run;
int self_comm;
int cuda_exists;
double extent[6];
int* debugdata;
// data shared between host code and device code
// (number of atoms, device pointers for up- & download)
cuda_shared_data shared_data;
cCudaData<double , F_CFLOAT , x >* cu_q;
cCudaData<double , F_CFLOAT , yx>* cu_f;
cCudaData<double , V_CFLOAT , x >* cu_mass;
cCudaData<double , V_CFLOAT , x >* cu_rmass;
cCudaData<double , V_CFLOAT , yx>* cu_v;
cCudaData<double , X_CFLOAT , yx>* cu_x;
cCudaData<double , X_CFLOAT , yx>* cu_xhold;
cCudaData<int , int , x >* cu_mask;
cCudaData<int , int , x >* cu_tag;
cCudaData<int , int , x >* cu_type;
cCudaData<int , int , x >* cu_image;
cCudaData<double , ENERGY_CFLOAT, x >* cu_eatom;
cCudaData<double , ENERGY_CFLOAT, yx>* cu_vatom;
cCudaData<double , ENERGY_CFLOAT, x >* cu_virial;
cCudaData<double , ENERGY_CFLOAT, x >* cu_eng_vdwl;
cCudaData<double , ENERGY_CFLOAT, x >* cu_eng_coul;
cCudaData<double , double , x >* cu_extent;
int* binned_id;
cCudaData<int , int , xx >* cu_binned_id;
int* binned_idnew;
cCudaData<int , int , xx >* cu_binned_idnew;
cCudaData<int , int , x >* cu_debugdata;
cCudaData<double , X_CFLOAT , x>* cu_radius;
cCudaData<double , F_CFLOAT , x>* cu_density;
cCudaData<double , V_CFLOAT , yx>* cu_omega;
cCudaData<double , F_CFLOAT , yx>* cu_torque;
cCudaData<int , int , yx >* cu_special;
cCudaData<int , int , yx >* cu_nspecial;
cCudaData<int , int , x >* cu_molecule;
cCudaData<X_CFLOAT , X_CFLOAT , x>* cu_x_type;
X_CFLOAT* x_type;
cCudaData<V_CFLOAT , V_CFLOAT , x>* cu_v_radius;
V_CFLOAT* v_radius;
cCudaData<V_CFLOAT , V_CFLOAT , x>* cu_omega_rmass;
V_CFLOAT* omega_rmass;
cCudaData<int , int , x >* cu_map_array;
int neighbor_decide_by_integrator;
bool pinned;
void* copy_buffer;
int copy_buffersize;
private:
int pppn; // number of GPUs/node
int *devicelist; // IDs of GPUs
std::map<class NeighList*, class CudaNeighList*> neigh_lists;
};
}
#endif // CUDA_H

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