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possible workaround for some GPU package neighbor list issue

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This commit is contained in:
Axel Kohlmeyer
2021-09-22 21:47:32 -04:00
parent 9906486578
commit 17ba0d5804
1 changed files with 1 additions and 6 deletions
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7
lib/gpu/lal_device.cpp
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@ -546,14 +546,9 @@ int DeviceT::init_nbor(Neighbor *nbor, const int nlocal,
return -3;
if (_user_cell_size<0.0) {
#ifndef LAL_USE_OLD_NEIGHBOR
_neighbor_shared.setup_auto_cell_size(true,cutoff,nbor->simd_size());
#else
_neighbor_shared.setup_auto_cell_size(false,cutoff,nbor->simd_size());
#endif
} else
_neighbor_shared.setup_auto_cell_size(false,_user_cell_size,
nbor->simd_size());
_neighbor_shared.setup_auto_cell_size(false,_user_cell_size,nbor->simd_size());
nbor->set_cutoff(cutoff);
return 0;