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Adding kokkos half list with ghosts 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15158 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
stamoor 2016-06-08 17:01:57 +00:00
parent 84f65fe441
commit 253f93a579
3 changed files with 17 additions and 16 deletions
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16
src/KOKKOS/neigh_full_kokkos.h
View File

@ -124,8 +124,8 @@ void NeighborKokkos::full_bin_kokkos(NeighListKokkos<DeviceType> *list)
const int factor = 1;
#endif
if (GHOST && !HALF_NEIGH) {
NeighborKokkosBuildFunctorFullGhost<DeviceType> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
if (GHOST) {
NeighborKokkosBuildFunctorGhost<DeviceType,HALF_NEIGH> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
Kokkos::parallel_for(nall, f);
} else {
if(newton_pair) {
@ -557,9 +557,9 @@ void NeighborKokkosExecute<DeviceType>::build_ItemCuda(typename Kokkos::TeamPoli
/* ---------------------------------------------------------------------- */
template<class Device>
template<class Device> template<int HalfNeigh>
void NeighborKokkosExecute<Device>::
build_Item_Full_Ghost(const int &i) const
build_Item_Ghost(const int &i) const
{
/* if necessary, goto next page and add pages */
int n = 0;
@ -592,7 +592,9 @@ void NeighborKokkosExecute<Device>::
const int jbin = ibin + stencil[k];
for(int m = 0; m < c_bincount(jbin); m++) {
const int j = c_bins(jbin,m);
if (i == j) continue;
if (HalfNeigh && j <= i) continue;
else if (j == i) continue;
const int jtype = type[j];
if(exclude && exclusion(i,j,itype,jtype)) continue;
@ -646,7 +648,9 @@ void NeighborKokkosExecute<Device>::
const int jbin = ibin + stencil[k];
for(int m = 0; m < c_bincount(jbin); m++) {
const int j = c_bins(jbin,m);
if (i == j) continue;
if (HalfNeigh && j <= i) continue;
else if (j == i) continue;
const int jtype = type[j];
if(exclude && exclusion(i,j,itype,jtype)) continue;

2
src/KOKKOS/neighbor_kokkos.cpp
View File

@ -281,7 +281,7 @@ void NeighborKokkos::choose_build(int index, NeighRequest *rq)
PairPtrHost pb = NULL;
if (rq->ghost) {
if (rq->full) pb = &NeighborKokkos::full_bin_kokkos<LMPHostType,0,1>;
else if (rq->half) error->one(FLERR,"Cannot (yet) request ghost atoms with Kokkos half neighbor list");
else if (rq->half) &NeighborKokkos::full_bin_kokkos<LMPHostType,1,1>;
pair_build_host[index] = pb;
} else {
if (rq->full) pb = &NeighborKokkos::full_bin_kokkos<LMPHostType,0,0>;

15
src/KOKKOS/neighbor_kokkos.h
View File

@ -158,8 +158,9 @@ class NeighborKokkosExecute
KOKKOS_FUNCTION
void build_Item(const int &i) const;
template<int HalfNeigh>
KOKKOS_FUNCTION
void build_Item_Full_Ghost(const int &i) const;
void build_Item_Ghost(const int &i) const;
template<int ClusterSize>
KOKKOS_FUNCTION
@ -297,20 +298,20 @@ struct NeighborKokkosBuildFunctor {
#endif
};
template<class Device>
struct NeighborKokkosBuildFunctorFullGhost {
template<class Device,int HALF_NEIGH>
struct NeighborKokkosBuildFunctorGhost {
typedef Device device_type;
const NeighborKokkosExecute<Device> c;
const size_t sharedsize;
NeighborKokkosBuildFunctorFullGhost(const NeighborKokkosExecute<Device> &_c,
NeighborKokkosBuildFunctorGhost(const NeighborKokkosExecute<Device> &_c,
const size_t _sharedsize):c(_c),
sharedsize(_sharedsize) {};
KOKKOS_INLINE_FUNCTION
void operator() (const int & i) const {
c.build_Item_Full_Ghost(i);
c.template build_Item_Ghost<HALF_NEIGH>(i);
}
};
@ -433,10 +434,6 @@ class NeighborKokkos : public Neighbor {
/* ERROR/WARNING messages:
E: Cannot (yet) request ghost atoms with Kokkos half neighbor list
This feature is not yet supported.
E: Too many local+ghost atoms for neighbor list
The number of nlocal + nghost atoms on a processor