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lammps/src/USER-CUDA/pppm_cuda.h
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pppm_cuda.h
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/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifdef KSPACE_CLASS
KSpaceStyle(pppm/cuda,PPPMCuda)
#else
#ifndef LMP_PPPM_CUDA_H
#define LMP_PPPM_CUDA_H
#include "pppm.h"
#include "cuda_data.h"
#include "cuda_precision.h"
namespace LAMMPS_NS {
class PPPMCuda : public PPPM {
public:
PPPMCuda(class LAMMPS *, int, char **);
~PPPMCuda();
void init();
void setup();
void compute(int, int);
void timing(int, double &, double &);
double poissontime;
protected:
class Cuda *cuda;
class FFT3dCuda *fft1c,*fft2c;
double* work3;
cCudaData<double , FFT_FLOAT , x >* cu_work1;
cCudaData<double , FFT_FLOAT , x >* cu_work2;
cCudaData<double , FFT_FLOAT , x >* cu_work3;
cCudaData<double , PPPM_FLOAT , x >* cu_greensfn;
cCudaData<double , PPPM_FLOAT , x >* cu_gf_b;
cCudaData<double , PPPM_FLOAT , x >* cu_fkx;
cCudaData<double , PPPM_FLOAT , x >* cu_fky;
cCudaData<double , PPPM_FLOAT , x >* cu_fkz;
cCudaData<double , PPPM_FLOAT , xy>* cu_vg;
cCudaData<double , PPPM_FLOAT , x >* cu_density_brick;
cCudaData<int , int , x >* cu_density_brick_int;
cCudaData<double , PPPM_FLOAT , x >* cu_vdx_brick;
cCudaData<double , PPPM_FLOAT , x >* cu_vdy_brick;
cCudaData<double , PPPM_FLOAT , x >* cu_vdz_brick;
cCudaData<double , PPPM_FLOAT , x >* cu_density_fft;
cCudaData<double , ENERGY_FLOAT , x >* cu_energy;
cCudaData<double , ENERGY_FLOAT , x >* cu_virial;
cCudaData<double , X_FLOAT , yx>* cu_x;
cCudaData<double , V_FLOAT , yx>* cu_v;
cCudaData<double , F_FLOAT , yx>* cu_f;
cCudaData<double , F_FLOAT , yx>* cu_q;
cCudaData<int , int , yx>* cu_part2grid;
cCudaData<double , PPPM_FLOAT , x >* cu_rho_coeff;
cCudaData<PPPM_FLOAT , PPPM_FLOAT , x >* cu_debugdata;
cCudaData<int , int , x >* cu_flag;
cCudaData<int , int , x >* cu_pppm_grid_n;
cCudaData<int , int , x >* cu_pppm_grid_ids;
ENERGY_FLOAT* slabbuf;
cCudaData<ENERGY_FLOAT, ENERGY_FLOAT, x >* cu_slabbuf;
int*** density_brick_int;
PPPM_FLOAT density_intScale;
int pppm_grid_nmax;
int* pppm2partgrid;
int* pppm_grid;
PPPM_FLOAT* debugdata;
bool firstpass;
void set_grid();
void make_power_of_prime(int* n);
void allocate();
void deallocate();
virtual void particle_map();
virtual void make_rho();
void poisson(int, int);
virtual void fieldforce();
virtual void slabcorr(int);
double*** vdx_brick_tmp;
int old_nmax;
int global_flag;
dev_array* adev_data_array;
char precisionmodify;
};
}
#endif
#endif
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