git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12614 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
159
src/USER-CUDA/user_cuda.h
Normal file
159
src/USER-CUDA/user_cuda.h
Normal file
@ -0,0 +1,159 @@
|
||||
/* ----------------------------------------------------------------------
|
||||
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
|
||||
Reference in New Issue
Block a user