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Merge branch 'develop' into amoeba-gpu

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This commit is contained in:
Trung Nguyen
2022-12-14 13:16:41 -06:00
parent 959b9c220f fe7b489149
commit 8af77c690c
4848 changed files with 102983 additions and 44974 deletions
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lib/gpu/lal_neighbor.cpp
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@ -637,7 +637,7 @@ void Neighbor::build_nbor_list(double **x, const int inum, const int host_inum,
subgroup_count += cell_subgroup_counts[i];
cell_subgroup_counts[i] += cell_subgroup_counts[i-1];
}
if (subgroup_count > subgroup2cell.numel()) {
if (subgroup_count > (int)subgroup2cell.numel()) {
subgroup2cell.clear();
success = success && (subgroup2cell.alloc(1.1*subgroup_count,*dev,
UCL_READ_WRITE,UCL_READ_ONLY) == UCL_SUCCESS);
@ -708,7 +708,7 @@ void Neighbor::build_nbor_list(double **x, const int inum, const int host_inum,
_old_ncellz = ncellz;
const int bin_stencil_stride = cells_in_cutoff * 2 + 1;
const int bin_stencil_size = bin_stencil_stride * bin_stencil_stride;
if (bin_stencil_size > _host_bin_stencil.numel())
if (bin_stencil_size > (int)_host_bin_stencil.numel())
_host_bin_stencil.alloc(bin_stencil_size,*dev);
for (int s = 0; s<bin_stencil_size; s++) {
const int nbory = s % bin_stencil_stride - cells_in_cutoff;