Fixing bug with GPU neighboring when using builds supporting CUDPP.
...introduced in Feb 2021 GPU package update. Manifests when GPU library is built with -DUSE_CUDPP and -DLAL_USE_OLD_NEIGHBOR (latter forced with CUDA 11.2).
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@ -740,6 +740,7 @@ void Neighbor::build_nbor_list(double **x, const int inum, const int host_inum,
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// If binning on GPU, do this now
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// If binning on GPU, do this now
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if (_gpu_nbor==1) {
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if (_gpu_nbor==1) {
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mn = _max_nbors;
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const numtyp i_cell_size=static_cast<numtyp>(1.0/_cell_size);
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const numtyp i_cell_size=static_cast<numtyp>(1.0/_cell_size);
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const int neigh_block=_block_cell_id;
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const int neigh_block=_block_cell_id;
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const int GX=(int)ceil((float)nall/neigh_block);
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const int GX=(int)ceil((float)nall/neigh_block);
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