Commit 36cbe439 authored by Stan Moore's avatar Stan Moore
Browse files

Fixing some CUDA runtime issues in npair_ssa_kokkos

parent ca4619e2

src/KOKKOS/npair_ssa_kokkos.cpp

+74 −26
Original line number Diff line number Diff line
@@ -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

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