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USER-DPD: make locals & ghosts use similar SSA work plan data structure

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Kokkos SSA won't use AIRct_ssa[], but still used for non-Kokkos for now.
This commit is contained in:
Tim Mattox
2017-02-24 13:27:27 -05:00
parent 2f04e87d07
commit a341a6bca9
2 changed files with 45 additions and 6 deletions
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31
src/KOKKOS/npair_ssa_kokkos.cpp
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@ -31,7 +31,7 @@ namespace LAMMPS_NS {
/* ---------------------------------------------------------------------- */
template<class DeviceType>
NPairSSAKokkos<DeviceType>::NPairSSAKokkos(LAMMPS *lmp) : NPair(lmp), ssa_phaseCt(27)
NPairSSAKokkos<DeviceType>::NPairSSAKokkos(LAMMPS *lmp) : NPair(lmp), ssa_phaseCt(27), ssa_gphaseCt(7)
{
}
@ -214,6 +214,7 @@ void NPairSSAKokkos<DeviceType>::build(NeighList *list_)
int ybin = (lbinyhi - lbinylo + sy1 - 1) / sy1 + 1;
int zbin = (lbinzhi - lbinzlo + sz1 - 1) / sz1 + 1;
int phaseLenEstimate = xbin*ybin*zbin;
int gphaseLenEstimate = 1; //FIXME make this 4 eventually
if (ssa_phaseCt > (int) k_ssa_phaseLen.dimension_0()) {
k_ssa_phaseLen = DAT::tdual_int_1d("NPairSSAKokkos:ssa_phaseLen",ssa_phaseCt);
@ -227,6 +228,18 @@ void NPairSSAKokkos<DeviceType>::build(NeighList *list_)
ssa_itemLen = k_ssa_itemLen.view<DeviceType>();
}
if (ssa_gphaseCt > (int) k_ssa_gphaseLen.dimension_0()) {
k_ssa_gphaseLen = DAT::tdual_int_1d("NPairSSAKokkos:ssa_gphaseLen",ssa_gphaseCt);
ssa_gphaseLen = k_ssa_gphaseLen.view<DeviceType>();
}
if ((ssa_gphaseCt > (int) k_ssa_gitemLoc.dimension_0()) ||
(gphaseLenEstimate > (int) k_ssa_gitemLoc.dimension_1())) {
k_ssa_gitemLoc = DAT::tdual_int_2d("NPairSSAKokkos::ssa_gitemLoc",ssa_gphaseCt,gphaseLenEstimate);
ssa_gitemLoc = k_ssa_gitemLoc.view<DeviceType>();
k_ssa_gitemLen = DAT::tdual_int_2d("NPairSSAKokkos::ssa_gitemLen",ssa_gphaseCt,gphaseLenEstimate);
ssa_gitemLen = k_ssa_gitemLen.view<DeviceType>();
}
NPairSSAKokkosExecute<DeviceType>
data(*list,
k_cutneighsq.view<DeviceType>(),
@ -243,6 +256,10 @@ void NPairSSAKokkos<DeviceType>::build(NeighList *list_)
k_ssa_phaseLen.view<DeviceType>(),
k_ssa_itemLoc.view<DeviceType>(),
k_ssa_itemLen.view<DeviceType>(),
ssa_gphaseCt,
k_ssa_gphaseLen.view<DeviceType>(),
k_ssa_gitemLoc.view<DeviceType>(),
k_ssa_gitemLen.view<DeviceType>(),
nlocal,
atomKK->k_x.view<DeviceType>(),
atomKK->k_type.view<DeviceType>(),
@ -444,12 +461,13 @@ void NPairSSAKokkosExecute<DeviceType>::build_ghosts()
int which = 0;
int inum = neigh_list.inum;
int gnum = 0;
neigh_list.AIRct_ssa[0] = inum; //FIXME
// loop over AIR ghost atoms, storing their local neighbors
// since these are ghosts, must check if stencil bin is out of bounds
for (int airnum = 1; airnum <= 7; airnum++) {
int locAIRct = 0;
for (int workPhase = 0; workPhase < ssa_gphaseCt; workPhase++) {
int airnum = workPhase + 1;
int workItem = 0; //FIXME for now, there is only 1 workItem for each ghost AIR
d_ssa_gitemLoc(workPhase, workItem) = inum + gnum; // record where workItem starts in ilist
for (int il = 0; il < c_gbincount(airnum); ++il) {
const int i = c_gbins(airnum, il);
n = 0;
@ -521,10 +539,11 @@ void NPairSSAKokkosExecute<DeviceType>::build_ghosts()
resize() = 1;
if(n > new_maxneighs()) Kokkos::atomic_fetch_max(&new_maxneighs(),n);
}
++locAIRct;
}
}
neigh_list.AIRct_ssa[airnum] = locAIRct; //FIXME
// record where workItem ends in ilist
d_ssa_gitemLen(workPhase,workItem) = inum + gnum - d_ssa_gitemLoc(workPhase,workItem);
if (d_ssa_gitemLen(workPhase,workItem) > 0) workItem++;
}
neigh_list.gnum = gnum; //FIXME
}

20
src/KOKKOS/npair_ssa_kokkos.h
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@ -47,6 +47,14 @@ class NPairSSAKokkos : public NPair {
typename AT::t_int_2d ssa_itemLoc;
typename AT::t_int_2d ssa_itemLen;
const int ssa_gphaseCt;
DAT::tdual_int_1d k_ssa_gphaseLen;
DAT::tdual_int_2d k_ssa_gitemLoc;
DAT::tdual_int_2d k_ssa_gitemLen;
typename AT::t_int_1d ssa_gphaseLen;
typename AT::t_int_2d ssa_gitemLoc;
typename AT::t_int_2d ssa_gitemLen;
NPairSSAKokkos(class LAMMPS *);
~NPairSSAKokkos() {}
void copy_neighbor_info();
@ -169,6 +177,10 @@ class NPairSSAKokkosExecute
typename AT::t_int_1d d_ssa_phaseLen;
typename AT::t_int_2d d_ssa_itemLoc;
typename AT::t_int_2d d_ssa_itemLen;
int ssa_gphaseCt;
typename AT::t_int_1d d_ssa_gphaseLen;
typename AT::t_int_2d d_ssa_gitemLoc;
typename AT::t_int_2d d_ssa_gitemLen;
NPairSSAKokkosExecute(
const NeighListKokkos<DeviceType> &_neigh_list,
@ -188,6 +200,10 @@ class NPairSSAKokkosExecute
const typename AT::t_int_1d &_d_ssa_phaseLen,
const typename AT::t_int_2d &_d_ssa_itemLoc,
const typename AT::t_int_2d &_d_ssa_itemLen,
const int _ssa_gphaseCt,
const typename AT::t_int_1d &_d_ssa_gphaseLen,
const typename AT::t_int_2d &_d_ssa_gitemLoc,
const typename AT::t_int_2d &_d_ssa_gitemLen,
const int _nlocal,
const typename AT::t_x_array_randomread &_x,
const typename AT::t_int_1d_const &_type,
@ -228,6 +244,10 @@ class NPairSSAKokkosExecute
d_ssa_phaseLen(_d_ssa_phaseLen),
d_ssa_itemLoc(_d_ssa_itemLoc),
d_ssa_itemLen(_d_ssa_itemLen),
ssa_gphaseCt(_ssa_gphaseCt),
d_ssa_gphaseLen(_d_ssa_gphaseLen),
d_ssa_gitemLoc(_d_ssa_gitemLoc),
d_ssa_gitemLen(_d_ssa_gitemLen),
nlocal(_nlocal),
x(_x),type(_type),mask(_mask),molecule(_molecule),
tag(_tag),special(_special),nspecial(_nspecial),molecular(_molecular),