Merge pull request #2691 from wmbrownIntel/gpu_cudpp_fix

Fixing bug with GPU neighboring when using builds supporting CUDPP.
This commit is contained in:
Axel Kohlmeyer
2021-04-01 09:21:18 -04:00
committed by GitHub

View File

@ -740,6 +740,7 @@ void Neighbor::build_nbor_list(double **x, const int inum, const int host_inum,
// If binning on GPU, do this now
if (_gpu_nbor==1) {
mn = _max_nbors;
const numtyp i_cell_size=static_cast<numtyp>(1.0/_cell_size);
const int neigh_block=_block_cell_id;
const int GX=(int)ceil((float)nall/neigh_block);