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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7989 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-03-28 22:10:48 +00:00
parent f5d54c5ac1
commit f3905bf229
7 changed files with 53 additions and 15 deletions
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12
lib/gpu/lal_neighbor_gpu.cu
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@ -119,6 +119,7 @@ __kernel void calc_neigh_list_cell(__global numtyp4 *x_,
int ix = BLOCK_ID_X;
int iy = BLOCK_ID_Y % ncelly;
int iz = BLOCK_ID_Y / ncelly;
int bsx = BLOCK_SIZE_X;
int icell = ix + iy*ncellx + iz*ncellx*ncelly;
@ -134,9 +135,9 @@ __kernel void calc_neigh_list_cell(__global numtyp4 *x_,
numtyp4 diff;
numtyp r2;
int cap=ucl_ceil((numtyp)(icell_end - icell_begin)/BLOCK_SIZE_X);
int cap=ucl_ceil((numtyp)(icell_end - icell_begin)/bsx);
for (int ii = 0; ii < cap; ii++) {
int i = icell_begin + tid + ii*BLOCK_SIZE_X;
int i = icell_begin + tid + ii*bsx;
int pid_i = nall, pid_j, stride;
numtyp4 atom_i, atom_j;
int cnt = 0;
@ -173,14 +174,13 @@ __kernel void calc_neigh_list_cell(__global numtyp4 *x_,
int num_atom_cell = jcell_end - jcell_begin;
// load jcell to shared memory
int num_iter = ucl_ceil((numtyp)num_atom_cell/BLOCK_NBOR_BUILD);
int num_iter = ucl_ceil((numtyp)num_atom_cell/bsx);
for (int k = 0; k < num_iter; k++) {
int end_idx = min(BLOCK_NBOR_BUILD,
num_atom_cell-k*BLOCK_NBOR_BUILD);
int end_idx = min(bsx, num_atom_cell-k*bsx);
if (tid < end_idx) {
pid_j = cell_particle_id[tid+k*BLOCK_NBOR_BUILD+jcell_begin];
pid_j = cell_particle_id[tid+k*bsx+jcell_begin];
cell_list_sh[tid] = pid_j;
atom_j = fetch_pos(pid_j,x_); //[pid_j];
pos_sh[tid].x = atom_j.x;