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Working on the fphi_uind kernel and array allocations

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This commit is contained in:
Trung Nguyen
2022-08-30 23:40:04 -05:00
parent c5c3c697df
commit aac264f2e2
5 changed files with 283 additions and 148 deletions
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21
lib/gpu/lal_base_amoeba.h
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@ -152,7 +152,10 @@ class BaseAmoeba {
virtual void precompute_induce(const int inum_full, const int bsorder,
double **host_thetai1, double **host_thetai2,
double **host_thetai3, int** igrid);
double **host_thetai3, int** igrid,
double* grid_brick_start, int nzlo_out,
int nzhi_out, int nylo_out, int nyhi_out,
int nxlo_out, int nxhi_out);
/// Compute multipole real-space with device neighboring
virtual int** compute_multipole_real(const int ago, const int inum_full, const int nall,
@ -179,8 +182,10 @@ class BaseAmoeba {
virtual void compute_fphi_uind(const int inum_full, const int bsorder,
double **host_thetai1, double **host_thetai2,
double **host_thetai3, int** igrid,
double ****host_grid, double **host_fdip_phi1,
double **host_fdip_phi2, double **host_fdip_sum_phi);
double *host_grid_brick_start, double **host_fdip_phi1,
double **host_fdip_phi2, double **host_fdip_sum_phi,
int nzlo_out, int nzhi_out, int nylo_out, int nyhi_out,
int nxlo_out, int nxhi_out);
/// Compute polar real-space with device neighboring
virtual void compute_polar_real(int *host_amtype, int *host_amgroup, double **host_rpole,
@ -249,9 +254,12 @@ class BaseAmoeba {
int _nmax, _max_tep_size, _max_fieldp_size;
int _bsorder;
UCL_Vector<numtyp,numtyp> _thetai1, _thetai2, _thetai3;
UCL_Vector<int4,int4> _igrid;
UCL_D_Vec<numtyp> _thetai1, _thetai2, _thetai3, _cgrid_brick;
UCL_D_Vec<int> _igrid;
UCL_Vector<numtyp,numtyp> _fdip_phi1, _fdip_phi2, _fdip_sum_phi;
int _max_thetai_size;
int _nzlo_out, _nzhi_out, _nylo_out, _nyhi_out, _nxlo_out, _nxhi_out;
int _ngridx, _ngridy, _ngridz, _num_grid_points;
// ------------------------ FORCE/ENERGY DATA -----------------------
@ -272,7 +280,7 @@ class BaseAmoeba {
// ------------------------- DEVICE KERNELS -------------------------
UCL_Program *pair_program;
UCL_Kernel k_multipole, k_udirect2b, k_umutual2b, k_polar;
UCL_Kernel k_multipole, k_udirect2b, k_umutual2b, k_polar, k_fphi_uind;
UCL_Kernel k_special15, k_short_nbor;
inline int block_size() { return _block_size; }
inline void set_kernel(const int eflag, const int vflag) {}
@ -305,7 +313,6 @@ class BaseAmoeba {
virtual int umutual2b(const int eflag, const int vflag) = 0;
virtual int fphi_uind() = 0;
virtual int polar_real(const int eflag, const int vflag) = 0;
#if !defined(USE_OPENCL) && !defined(USE_HIP)