ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2016-07-01 23:27:26 +00:00
parent 8366b35459
commit 9656958169
245 changed files with 4890 additions and 4832 deletions
Download Patch File Download Diff File Expand all files Collapse all files

28
lib/gpu/lal_pppm.h
View File

@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : brownw@ornl.gov
***************************************************************************/
@ -48,9 +48,9 @@ class PPPM {
grdtyp * init(const int nlocal, const int nall, FILE *screen, const int order,
const int nxlo_out, const int nylo_out, const int nzlo_out,
const int nxhi_out, const int nyhi_out, const int nzhi_out,
grdtyp **rho_coeff, grdtyp **vd_brick,
const double slab_volfactor, const int nx_pppm,
const int ny_pppm, const int nz_pppm, const bool split,
grdtyp **rho_coeff, grdtyp **vd_brick,
const double slab_volfactor, const int nx_pppm,
const int ny_pppm, const int nz_pppm, const bool split,
int &success);
/// Check if there is enough storage for atom arrays and realloc if not
@ -66,7 +66,7 @@ class PPPM {
/// Check if there is enough storage for local atoms and realloc if not
inline void resize_local(const int inum, bool &success) {
}
/// Clear all host and device data
/** \note This is called at the beginning of the init() routine **/
void clear(const double cpu_time);
@ -118,7 +118,7 @@ class PPPM {
void interp(const grdtyp qqrd2e_scale);
// -------------------------- DEVICE DATA -------------------------
// -------------------------- DEVICE DATA -------------------------
/// Device Properties and Atom and Neighbor storage
Device<numtyp,acctyp> *device;
@ -142,21 +142,21 @@ class PPPM {
UCL_Vector<grdtyp,grdtyp> brick;
UCL_Vector<grdtyp,grdtyp> vd_brick;
// Count of number of atoms assigned to each grid point
UCL_D_Vec<int> d_brick_counts;
// Atoms assigned to each grid point
UCL_D_Vec<grdtyp4> d_brick_atoms;
// Error checking for out of bounds atoms
UCL_Vector<int,int> error_flag;
// Number of grid points in brick (including ghost)
int _npts_x, _npts_y, _npts_z, _npts_yx;
// Number of local grid points in brick
int _nlocal_x, _nlocal_y, _nlocal_z, _nlocal_yx, _atom_stride;
// -------------------------- SPLINE DATA -------------------------
UCL_D_Vec<grdtyp> d_rho_coeff;
int _order, _nlower, _nupper, _order_m_1, _order2;
@ -180,12 +180,12 @@ class PPPM {
int _block_size, _block_pencils, _pencil_size, _max_brick_atoms, _max_atoms;
double _max_bytes, _max_an_bytes;
double _cpu_idle_time;
grdtyp _brick_x, _brick_y, _brick_z, _delxinv, _delyinv, _delzinv;
grdtyp _brick_x, _brick_y, _brick_z, _delxinv, _delyinv, _delzinv;
double _slab_volfactor;
int _nx_pppm, _ny_pppm, _nz_pppm;
void compile_kernels(UCL_Device &dev);
void _precompute(const int ago, const int nlocal, const int nall,
double **host_x, int *host_type, bool &success,