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Fixing some CUDA runtime issues in npair_ssa_kokkos

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This commit is contained in:
Stan Moore
2017-06-06 10:51:26 -06:00
parent ca4619e227
commit 36cbe43978
1 changed files with 74 additions and 26 deletions
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100
src/KOKKOS/npair_ssa_kokkos.cpp
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@ -149,17 +149,21 @@ void NPairSSAKokkos<DeviceType>::copy_stencil_info()
k_ssa_phaseOff = DAT::tdual_int_1d_3("NPairSSAKokkos:ssa_phaseOff",ssa_phaseCt);
ssa_phaseOff = k_ssa_phaseOff.view<DeviceType>();
}
auto h_ssa_phaseOff = k_ssa_phaseOff.h_view;
k_ssa_phaseOff.sync<LMPHostType>();
int workPhase = 0;
for (int zoff = sz1 - 1; zoff >= 0; --zoff) {
for (int yoff = sy1 - 1; yoff >= 0; --yoff) {
for (int xoff = sx1 - 1; xoff >= 0; --xoff) {
ssa_phaseOff(workPhase, 0) = xoff;
ssa_phaseOff(workPhase, 1) = yoff;
ssa_phaseOff(workPhase, 2) = zoff;
h_ssa_phaseOff(workPhase, 0) = xoff;
h_ssa_phaseOff(workPhase, 1) = yoff;
h_ssa_phaseOff(workPhase, 2) = zoff;
workPhase++;
}
}
}
k_ssa_phaseOff.modify<LMPHostType>();
k_ssa_phaseOff.sync<DeviceType>();
}
@ -250,8 +254,25 @@ void NPairSSAKokkos<DeviceType>::build(NeighList *list_)
ssa_itemLen = k_ssa_itemLen.view<DeviceType>();
}
k_ssa_itemLoc.sync<LMPHostType>();
k_ssa_itemLen.sync<LMPHostType>();
k_ssa_gitemLoc.sync<LMPHostType>();
k_ssa_gitemLen.sync<LMPHostType>();
k_ssa_phaseOff.sync<LMPHostType>();
k_ssa_phaseLen.sync<LMPHostType>();
k_ssa_gphaseLen.sync<LMPHostType>();
auto h_ssa_itemLoc = k_ssa_itemLoc.h_view;
auto h_ssa_itemLen = k_ssa_itemLen.h_view;
auto h_ssa_gitemLoc = k_ssa_gitemLoc.h_view;
auto h_ssa_gitemLen = k_ssa_gitemLen.h_view;
auto h_ssa_phaseOff = k_ssa_phaseOff.h_view;
auto h_ssa_phaseLen = k_ssa_phaseLen.h_view;
auto h_ssa_gphaseLen = k_ssa_gphaseLen.h_view;
{ // Preflight the neighbor list workplan
const typename ArrayTypes<DeviceType>::t_int_1d_const c_bincount = k_bincount.view<DeviceType>();
k_bincount.sync<LMPHostType>();
auto h_bincount = k_bincount.h_view;
const typename ArrayTypes<DeviceType>::t_int_2d_const c_bins = k_bins.view<DeviceType>();
const typename ArrayTypes<DeviceType>::t_int_1d_const_um c_stencil = k_stencil.view<DeviceType>();
const typename ArrayTypes<DeviceType>::t_int_1d_const c_nstencil_ssa = k_nstencil_ssa.view<DeviceType>();
@ -259,9 +280,9 @@ void NPairSSAKokkos<DeviceType>::build(NeighList *list_)
// loop over bins with local atoms, counting half of the neighbors
for (int workPhase = 0; workPhase < ssa_phaseCt; ++workPhase) {
int zoff = ssa_phaseOff(workPhase, 2);
int yoff = ssa_phaseOff(workPhase, 1);
int xoff = ssa_phaseOff(workPhase, 0);
int zoff = h_ssa_phaseOff(workPhase, 2);
int yoff = h_ssa_phaseOff(workPhase, 1);
int xoff = h_ssa_phaseOff(workPhase, 0);
int workItem = 0;
for (int zbin = lbinzlo + zoff; zbin < lbinzhi; zbin += sz1) {
for (int ybin = lbinylo + yoff - sy1 + 1; ybin < lbinyhi; ybin += sy1) {
@ -276,14 +297,14 @@ void NPairSSAKokkos<DeviceType>::build(NeighList *list_)
if ((s_xbin < lbinxlo) || (s_xbin >= lbinxhi)) continue;
const int ibin = zbin*mbiny*mbinx + s_ybin*mbinx + s_xbin;
const int ibinCt = c_bincount(ibin);
const int ibinCt = h_bincount(ibin);
if (ibinCt > 0) {
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);
if (jbin != ibin) base_n += h_bincount(jbin);
else include_same = true;
}
// Calculate how many ibin particles would have had some neighbors
@ -291,10 +312,10 @@ void NPairSSAKokkos<DeviceType>::build(NeighList *list_)
else if (include_same) inum += ibinCt - 1;
}
}
ssa_itemLoc(workPhase,workItem) = inum_start; // record where workItem starts in ilist
ssa_itemLen(workPhase,workItem) = inum - inum_start; // record workItem length
h_ssa_itemLoc(workPhase,workItem) = inum_start; // record where workItem starts in ilist
h_ssa_itemLen(workPhase,workItem) = inum - inum_start; // record workItem length
#ifdef DEBUG_SSA_BUILD_LOCALS
if (ssa_itemLen(workPhase,workItem) < 0) fprintf(stdout, "undr%03d phase (%3d,%3d) inum %d - inum_start %d UNDERFLOW\n"
if (h_ssa_itemLen(workPhase,workItem) < 0) fprintf(stdout, "undr%03d phase (%3d,%3d) inum %d - inum_start %d UNDERFLOW\n"
,comm->me
,workPhase
,workItem
@ -311,14 +332,14 @@ if (ssa_itemLen(workPhase,workItem) < 0) fprintf(stdout, "undr%03d phase (%3d,%3
fprintf(stdout, "phas%03d phase %3d could use %6d inums, expected %6d inums. maxworkItems = %3d, inums/workItems = %g\n"
,comm->me
,workPhase
,inum - ssa_itemLoc(workPhase, 0)
,inum - h_ssa_itemLoc(workPhase, 0)
,(nlocal*4 + ssa_phaseCt - 1) / ssa_phaseCt
,workItem
,(inum - ssa_itemLoc(workPhase, 0)) / (double) workItem
,(inum - h_ssa_itemLoc(workPhase, 0)) / (double) workItem
);
#endif
// record where workPhase ends
ssa_phaseLen(workPhase) = workItem;
h_ssa_phaseLen(workPhase) = workItem;
}
#ifdef DEBUG_SSA_BUILD_LOCALS
fprintf(stdout, "tota%03d total %3d could use %6d inums, expected %6d inums. inums/phase = %g\n"
@ -331,15 +352,30 @@ fprintf(stdout, "tota%03d total %3d could use %6d inums, expected %6d inums. inu
#endif
nl_size = inum; // record how much space is needed for the local work plan
}
// count how many ghosts might have neighbors, and increase the work plan storage
for (int workPhase = 0; workPhase < ssa_gphaseCt; workPhase++) {
int len = k_gbincount.h_view(workPhase + 1);
ssa_gitemLoc(workPhase,0) = nl_size; // record where workItem starts in ilist
ssa_gitemLen(workPhase,0) = len;
h_ssa_gitemLoc(workPhase,0) = nl_size; // record where workItem starts in ilist
h_ssa_gitemLen(workPhase,0) = len;
nl_size += len;
}
list->grow(nl_size); // Make special larger SSA neighbor list
k_ssa_itemLoc.modify<LMPHostType>();
k_ssa_itemLen.modify<LMPHostType>();
k_ssa_gitemLoc.modify<LMPHostType>();
k_ssa_gitemLen.modify<LMPHostType>();
k_ssa_phaseOff.modify<LMPHostType>();
k_ssa_phaseLen.modify<LMPHostType>();
k_ssa_itemLoc.sync<DeviceType>();
k_ssa_itemLen.sync<DeviceType>();
k_ssa_gitemLen.sync<DeviceType>();
k_ssa_gitemLoc.sync<DeviceType>();
k_ssa_phaseOff.sync<DeviceType>();
k_ssa_phaseLen.sync<DeviceType>();
k_ssa_gphaseLen.sync<DeviceType>();
NPairSSAKokkosExecute<DeviceType>
data(*list,
k_cutneighsq.view<DeviceType>(),
@ -422,15 +458,27 @@ fprintf(stdout, "tota%03d total %3d could use %6d inums, expected %6d inums. inu
Kokkos::parallel_for(ssa_phaseCt, LAMMPS_LAMBDA (const int workPhase) {
data.build_locals_onePhase(firstTry, comm->me, workPhase);
});
data.neigh_list.inum = ssa_itemLoc(ssa_phaseCt-1,ssa_phaseLen(ssa_phaseCt-1)-1) +
ssa_itemLen(ssa_phaseCt-1,ssa_phaseLen(ssa_phaseCt-1)-1);
k_ssa_itemLoc.modify<DeviceType>();
k_ssa_itemLen.modify<DeviceType>();
k_ssa_phaseLen.modify<DeviceType>();
k_ssa_itemLoc.sync<LMPHostType>();
k_ssa_itemLen.sync<LMPHostType>();
k_ssa_phaseLen.sync<LMPHostType>();
data.neigh_list.inum = h_ssa_itemLoc(ssa_phaseCt-1,h_ssa_phaseLen(ssa_phaseCt-1)-1) +
h_ssa_itemLen(ssa_phaseCt-1,h_ssa_phaseLen(ssa_phaseCt-1)-1);
// loop over AIR ghost atoms, storing their local neighbors
Kokkos::parallel_for(ssa_gphaseCt, LAMMPS_LAMBDA (const int workPhase) {
data.build_ghosts_onePhase(workPhase);
});
data.neigh_list.gnum = ssa_gitemLoc(ssa_gphaseCt-1,ssa_gphaseLen(ssa_gphaseCt-1)-1) +
ssa_gitemLen(ssa_gphaseCt-1,ssa_gphaseLen(ssa_gphaseCt-1)-1) - data.neigh_list.inum;
k_ssa_gitemLoc.modify<DeviceType>();
k_ssa_gitemLen.modify<DeviceType>();
k_ssa_gphaseLen.modify<DeviceType>();
k_ssa_gitemLoc.sync<LMPHostType>();
k_ssa_gitemLen.sync<LMPHostType>();
k_ssa_gphaseLen.sync<LMPHostType>();
data.neigh_list.gnum = h_ssa_gitemLoc(ssa_gphaseCt-1,h_ssa_gphaseLen(ssa_gphaseCt-1)-1) +
h_ssa_gitemLen(ssa_gphaseCt-1,h_ssa_gphaseLen(ssa_gphaseCt-1)-1) - data.neigh_list.inum;
firstTry = false;
DeviceType::fence();
@ -445,12 +493,12 @@ fprintf(stdout, "tota%03d total %3d could use %6d inums, expected %6d inums. inu
}
}
k_ssa_phaseLen.modify<DeviceType>();
k_ssa_itemLoc.modify<DeviceType>();
k_ssa_itemLen.modify<DeviceType>();
k_ssa_gphaseLen.modify<DeviceType>();
k_ssa_gitemLoc.modify<DeviceType>();
k_ssa_gitemLen.modify<DeviceType>();
//k_ssa_phaseLen.modify<DeviceType>();
//k_ssa_itemLoc.modify<DeviceType>();
//k_ssa_itemLen.modify<DeviceType>();
//k_ssa_gphaseLen.modify<DeviceType>();
//k_ssa_gitemLoc.modify<DeviceType>();
//k_ssa_gitemLen.modify<DeviceType>();
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