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Refactor use of Kokkos::UnorderedMap to fix Cuda issue

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This commit is contained in:
Stan Gerald Moore
2021-07-06 13:49:12 -06:00
parent 9a4735c6ef
commit 4f6e28a0d8
8 changed files with 50 additions and 62 deletions
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3
src/KOKKOS/fix_shake_kokkos.cpp
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@ -207,7 +207,6 @@ void FixShakeKokkos<DeviceType>::pre_neighbor()
k_map_array.template sync<DeviceType>();
} else if (map_style == Atom::MAP_HASH) {
k_map_hash = atomKK->k_map_hash;
k_map_hash.template sync<DeviceType>();
}
k_shake_flag.sync<DeviceType>();
@ -231,7 +230,6 @@ void FixShakeKokkos<DeviceType>::pre_neighbor()
k_map_array.template sync<DeviceType>();
} else if (map_style == Atom::MAP_HASH) {
k_map_hash = atomKK->k_map_hash;
k_map_hash.template sync<DeviceType>();
}
// build list of SHAKE clusters I compute
@ -320,7 +318,6 @@ void FixShakeKokkos<DeviceType>::post_force(int vflag)
k_map_array.template sync<DeviceType>();
} else if (map_style == Atom::MAP_HASH) {
k_map_hash = atomKK->k_map_hash;
k_map_hash.template sync<DeviceType>();
}
if (d_rmass.data())