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USER-DPD Kokkos: preflight SSA neigh list workplan to reduce allocated storage

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This commit is contained in:
Tim Mattox
2017-04-01 14:41:52 -04:00
parent ac4c35ce8d
commit e0021a3ff5
1 changed files with 23 additions and 13 deletions
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36
src/KOKKOS/npair_ssa_kokkos.cpp
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@ -205,7 +205,7 @@ void NPairSSAKokkos<DeviceType>::build(NeighList *list_)
{
NeighListKokkos<DeviceType>* list = (NeighListKokkos<DeviceType>*) list_;
const int nlocal = includegroup?atom->nfirst:atom->nlocal;
int nl_size = atom->nghost;
int nl_size;
ssa_phaseCt = sz1*sy1*sx1;
@ -265,17 +265,17 @@ void NPairSSAKokkos<DeviceType>::build(NeighList *list_)
if ((s_xbin < lbinxlo) || (s_xbin >= lbinxhi)) continue;
int ibin = zbin*mbiny*mbinx + s_ybin*mbinx + s_xbin;
for (int il = 0; il < c_bincount(ibin); ++il) {
int n = 0;
// count all local atoms in the current stencil "subphase" as potential neighbors
for (int k = c_nstencil_ssa(subphase); k < c_nstencil_ssa(subphase+1); k++) {
const int jbin = ibin+c_stencil(k);
int jl = (jbin != ibin) ? 0 : (il + 1); // same bin as il, so start just past il in the bin
n += c_bincount(jbin) - jl;
}
if (n > 0) inum++;
int base_n = 0;
bool include_same = false;
// count all local atoms in the current stencil "subphase" as potential neighbors
for (int k = c_nstencil_ssa(subphase); k < c_nstencil_ssa(subphase+1); k++) {
const int jbin = ibin+c_stencil(k);
if (jbin != ibin) base_n += c_bincount(jbin);
else include_same = true;
}
// Calculate how many ibin particles would have had some neighbors
if (base_n > 0) inum += c_bincount(ibin);
else if (include_same) inum += c_bincount(ibin) - 1;
}
// record where workItem ends in ilist
ssa_itemLen(workPhase,workItem) = inum - ssa_itemLoc(workPhase,workItem);
@ -302,9 +302,12 @@ fprintf(stdout, "total %3d could use %6d inums, expected %6d inums. inums/phase
,nlocal*4
,inum / (double) workPhase
);
nl_size += inum;
nl_size = inum; // record how much space is needed for the local work plan
}
// count how many ghosts are likely to have neighbors, and increase the work plan storage
for (int workPhase = 0; workPhase < ssa_gphaseCt; workPhase++) {
nl_size += k_gbincount.h_view(workPhase + 1);
}
list->grow(nl_size); // Make special larger SSA neighbor list
NPairSSAKokkosExecute<DeviceType>
@ -412,6 +415,13 @@ fprintf(stdout, "total %3d could use %6d inums, expected %6d inums. inums/phase
list->inum = data.neigh_list.inum; //FIXME once the above is in a parallel_for
list->gnum = data.neigh_list.gnum; // it will need a deep_copy or something
fprintf(stdout, "%6d inum %6d gnum, total used %6d, allocated %6d\n"
,list->inum
,list->gnum
,list->inum + list->gnum
,nl_size
);
list->k_ilist.template modify<DeviceType>();
}