Commit a5790ef6 authored by Stan Moore's avatar Stan Moore
Browse files

Rename to ScatterView

parent 8e68015a

src/KOKKOS/fix_qeq_reax_kokkos.cpp

+1 −1
Original line number Diff line number Diff line
@@ -255,7 +255,7 @@ void FixQEqReaxKokkos<DeviceType>::pre_force(int vflag) 
  k_t.template sync<DeviceType>();



  if (neighflag != FULL)

    red_o = Kokkos::Experimental::create_reduction_view<> (d_o); // allocate duplicated memory

    red_o = Kokkos::Experimental::create_scatter_view<> (d_o); // allocate duplicated memory



  // 1st cg solve over b_s, s

  cg_solve1();

src/KOKKOS/fix_qeq_reax_kokkos.h

+2 −2
Original line number Diff line number Diff line
@@ -22,7 +22,7 @@ FixStyle(qeq/reax/kk/host,FixQEqReaxKokkos<LMPHostType>) 
#ifndef LMP_FIX_QEQ_REAX_KOKKOS_H

#define LMP_FIX_QEQ_REAX_KOKKOS_H



#include <Kokkos_ReductionView.hpp>

#include <Kokkos_ScatterView.hpp>

#include "fix_qeq_reax.h"

#include "kokkos_type.h"

#include "neigh_list.h"
@@ -193,7 +193,7 @@ class FixQEqReaxKokkos : public FixQEqReax { 
  HAT::t_ffloat_2d h_s_hist, h_t_hist;

  typename AT::t_ffloat_2d_randomread r_s_hist, r_t_hist;



  Kokkos::Experimental::ReductionView<F_FLOAT*, typename AT::t_ffloat_1d::array_layout, DeviceType> red_o;

  Kokkos::Experimental::ScatterView<F_FLOAT*, typename AT::t_ffloat_1d::array_layout, DeviceType> red_o;



  void init_shielding_k();

  void init_hist();

src/KOKKOS/pair_kokkos.h

+3 −3
Original line number Diff line number Diff line
@@ -23,7 +23,7 @@ 
#include "neighbor_kokkos.h"

#include "neigh_list_kokkos.h"

#include "Kokkos_Vectorization.hpp"

#include "Kokkos_ReductionView.hpp"

#include "Kokkos_ScatterView.hpp"



namespace LAMMPS_NS {
@@ -64,12 +64,12 @@ struct AtomicF<HALFTHREAD> { 
// Do atomic trait when running HALFTHREAD neighbor list style

template<int NEIGHFLAG>

struct AtomicDup {

  enum {value = Kokkos::Experimental::ReductionNonAtomic};

  enum {value = Kokkos::Experimental::ScatterNonAtomic};

};



template<>

struct AtomicDup<HALFTHREAD> {

  enum {value = Kokkos::Experimental::ReductionAtomic};

  enum {value = Kokkos::Experimental::ScatterAtomic};

};



//Specialisation for Neighborlist types Half, HalfThread, Full

src/KOKKOS/pair_reaxc_kokkos.cpp

+11 −11
Original line number Diff line number Diff line
@@ -713,9 +713,9 @@ void PairReaxCKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
  d_ilist = k_list->d_ilist;



  // allocate duplicated memory

  dup_f            = Kokkos::Experimental::create_reduction_view<>(f);

  dup_eatom        = Kokkos::Experimental::create_reduction_view<>(v_eatom);

  dup_vatom        = Kokkos::Experimental::create_reduction_view<>(v_vatom);

  dup_f            = Kokkos::Experimental::create_scatter_view<>(f);

  dup_eatom        = Kokkos::Experimental::create_scatter_view<>(v_eatom);

  dup_vatom        = Kokkos::Experimental::create_scatter_view<>(v_vatom);



  if (eflag_global) {

    for (int i = 0; i < 14; i++)
@@ -787,8 +787,8 @@ void PairReaxCKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
  }



  // allocate duplicated memory

  dup_dDeltap_self = Kokkos::Experimental::create_reduction_view<>(d_dDeltap_self);

  dup_total_bo     = Kokkos::Experimental::create_reduction_view<>(d_total_bo);

  dup_dDeltap_self = Kokkos::Experimental::create_scatter_view<>(d_dDeltap_self);

  dup_total_bo     = Kokkos::Experimental::create_scatter_view<>(d_total_bo);



  // Neighbor lists for bond and hbond
@@ -829,16 +829,16 @@ void PairReaxCKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
    resize = resize_bo || resize_hb;

    if (resize) {

      allocate_array();

      dup_dDeltap_self = Kokkos::Experimental::create_reduction_view<>(d_dDeltap_self);

      dup_total_bo     = Kokkos::Experimental::create_reduction_view<>(d_total_bo);

      dup_dDeltap_self = Kokkos::Experimental::create_scatter_view<>(d_dDeltap_self);

      dup_total_bo     = Kokkos::Experimental::create_scatter_view<>(d_total_bo);

    }

  }



  // allocate duplicated memory

  dup_CdDelta = Kokkos::Experimental::create_reduction_view<>(d_CdDelta);

  //dup_Cdbo    = Kokkos::Experimental::create_reduction_view<>(d_Cdbo);

  //dup_Cdbopi  = Kokkos::Experimental::create_reduction_view<>(d_Cdbopi);

  //dup_Cdbopi2 = Kokkos::Experimental::create_reduction_view<>(d_Cdbopi2);

  dup_CdDelta = Kokkos::Experimental::create_scatter_view<>(d_CdDelta);

  //dup_Cdbo    = Kokkos::Experimental::create_scatter_view<>(d_Cdbo);

  //dup_Cdbopi  = Kokkos::Experimental::create_scatter_view<>(d_Cdbopi);

  //dup_Cdbopi2 = Kokkos::Experimental::create_scatter_view<>(d_Cdbopi2);



  // reduction over duplicated memory

  Kokkos::Experimental::contribute(d_total_bo, dup_total_bo); // needed in BondOrder1

src/KOKKOS/pair_reaxc_kokkos.h

+10 −10
Original line number Diff line number Diff line
@@ -24,7 +24,7 @@ PairStyle(reax/c/kk/host,PairReaxCKokkos<LMPHostType>) 
#define LMP_PAIR_REAXC_KOKKOS_H



#include <stdio.h>

#include <Kokkos_ReductionView.hpp>

#include <Kokkos_ScatterView.hpp>

#include "pair_kokkos.h"

#include "pair_reaxc.h"

#include "neigh_list_kokkos.h"
@@ -412,15 +412,15 @@ class PairReaxCKokkos : public PairReaxC { 
  typename AT::t_ffloat_2d_dl d_C1dbopi2, d_C2dbopi2, d_C3dbopi2, d_C4dbopi2;

  typename AT::t_ffloat_2d_dl d_Cdbo, d_Cdbopi, d_Cdbopi2, d_dDeltap_self;



  Kokkos::Experimental::ReductionView<F_FLOAT*, typename DAT::t_float_1d::array_layout,DeviceType> dup_total_bo;

  Kokkos::Experimental::ReductionView<F_FLOAT*, typename DAT::t_float_1d::array_layout,DeviceType> dup_CdDelta;

  Kokkos::Experimental::ReductionView<E_FLOAT*, typename DAT::t_efloat_1d::array_layout,DeviceType> dup_eatom;

  Kokkos::Experimental::ReductionView<F_FLOAT*[3], typename DAT::t_f_array::array_layout,DeviceType> dup_f;

  Kokkos::Experimental::ReductionView<F_FLOAT*[6], typename DAT::t_virial_array::array_layout,DeviceType> dup_vatom;

  Kokkos::Experimental::ReductionView<F_FLOAT**, typename DAT::t_ffloat_2d_dl::array_layout,DeviceType> dup_dDeltap_self;

  Kokkos::Experimental::ReductionView<F_FLOAT**, typename DAT::t_ffloat_2d_dl::array_layout,DeviceType> dup_Cdbo;

  Kokkos::Experimental::ReductionView<F_FLOAT**, typename DAT::t_ffloat_2d_dl::array_layout,DeviceType> dup_Cdbopi;

  Kokkos::Experimental::ReductionView<F_FLOAT**, typename DAT::t_ffloat_2d_dl::array_layout,DeviceType> dup_Cdbopi2;

  Kokkos::Experimental::ScatterView<F_FLOAT*, typename DAT::t_float_1d::array_layout,DeviceType> dup_total_bo;

  Kokkos::Experimental::ScatterView<F_FLOAT*, typename DAT::t_float_1d::array_layout,DeviceType> dup_CdDelta;

  Kokkos::Experimental::ScatterView<E_FLOAT*, typename DAT::t_efloat_1d::array_layout,DeviceType> dup_eatom;

  Kokkos::Experimental::ScatterView<F_FLOAT*[3], typename DAT::t_f_array::array_layout,DeviceType> dup_f;

  Kokkos::Experimental::ScatterView<F_FLOAT*[6], typename DAT::t_virial_array::array_layout,DeviceType> dup_vatom;

  Kokkos::Experimental::ScatterView<F_FLOAT**, typename DAT::t_ffloat_2d_dl::array_layout,DeviceType> dup_dDeltap_self;

  Kokkos::Experimental::ScatterView<F_FLOAT**, typename DAT::t_ffloat_2d_dl::array_layout,DeviceType> dup_Cdbo;

  Kokkos::Experimental::ScatterView<F_FLOAT**, typename DAT::t_ffloat_2d_dl::array_layout,DeviceType> dup_Cdbopi;

  Kokkos::Experimental::ScatterView<F_FLOAT**, typename DAT::t_ffloat_2d_dl::array_layout,DeviceType> dup_Cdbopi2;



  typedef Kokkos::DualView<F_FLOAT**[7],typename DeviceType::array_layout,DeviceType> tdual_ffloat_2d_n7;

  typedef typename tdual_ffloat_2d_n7::t_dev_const_randomread t_ffloat_2d_n7_randomread;

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