Commit dd101db7 authored by Steve Plimpton's avatar Steve Plimpton Committed by GitHub
Browse files

Merge pull request #582 from stanmoore1/kk_changes 

Fixing execution space issues in KOKKOS package
parents 6195b3c0 5cd1dc93

src/KOKKOS/angle_charmm_kokkos.cpp

+4 −4
Original line number Diff line number Diff line
@@ -271,10 +271,10 @@ void AngleCharmmKokkos<DeviceType>::coeff(int narg, char **arg) 
  Kokkos::DualView<F_FLOAT*,DeviceType> k_k_ub("AngleCharmm::k_ub",n+1);

  Kokkos::DualView<F_FLOAT*,DeviceType> k_r_ub("AngleCharmm::r_ub",n+1);



  d_k = k_k.d_view;

  d_theta0 = k_theta0.d_view;

  d_k_ub = k_k_ub.d_view;

  d_r_ub = k_r_ub.d_view;

  d_k = k_k.template view<DeviceType>();

  d_theta0 = k_theta0.template view<DeviceType>();

  d_k_ub = k_k_ub.template view<DeviceType>();

  d_r_ub = k_r_ub.template view<DeviceType>();



  for (int i = 1; i <= n; i++) {

    k_k.h_view[i] = k[i];

src/KOKKOS/atom_vec_angle_kokkos.h

+2 −0
Original line number Diff line number Diff line
@@ -14,6 +14,8 @@ 
#ifdef ATOM_CLASS



AtomStyle(angle/kk,AtomVecAngleKokkos)

AtomStyle(angle/kk/device,AtomVecAngleKokkos)

AtomStyle(angle/kk/host,AtomVecAngleKokkos)



#else

src/KOKKOS/atom_vec_atomic_kokkos.h

+2 −0
Original line number Diff line number Diff line
@@ -14,6 +14,8 @@ 
#ifdef ATOM_CLASS



AtomStyle(atomic/kk,AtomVecAtomicKokkos)

AtomStyle(atomic/kk/device,AtomVecAtomicKokkos)

AtomStyle(atomic/kk/host,AtomVecAtomicKokkos)



#else

src/KOKKOS/atom_vec_bond_kokkos.h

+2 −0
Original line number Diff line number Diff line
@@ -14,6 +14,8 @@ 
#ifdef ATOM_CLASS



AtomStyle(bond/kk,AtomVecBondKokkos)

AtomStyle(bond/kk/device,AtomVecBondKokkos)

AtomStyle(bond/kk/host,AtomVecBondKokkos)



#else

src/KOKKOS/atom_vec_charge_kokkos.h

+2 −0
Original line number Diff line number Diff line
@@ -14,6 +14,8 @@ 
#ifdef ATOM_CLASS



AtomStyle(charge/kk,AtomVecChargeKokkos)

AtomStyle(charge/kk/device,AtomVecChargeKokkos)

AtomStyle(charge/kk/host,AtomVecChargeKokkos)



#else

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