Commit 7559bc9c authored by Dan Ibanez's avatar Dan Ibanez
Browse files

workaround CUDA View::reference_type 

it is not an lvalue reference in CUDA.
also, the previous code assumed contiguous
entries for one atom; now it should be
robust in the case of LayoutLeft.
parent f3327ca2

src/KOKKOS/fix_momentum_kokkos.cpp

+7 −5
Original line number Diff line number Diff line
@@ -149,12 +149,14 @@ void FixMomentumKokkos<DeviceType>::end_of_step() 
    auto triclinic = domain->triclinic;

    Kokkos::parallel_for(nlocal, LAMMPS_LAMBDA(int i) {

      if (mask[i] & groupbit2) {

        double dx,dy,dz;

        auto x_i = Few<double,3>(&x(i,0));

        Few<double,3> x_i;

        x_i[0] = x(i,0);

        x_i[1] = x(i,1);

        x_i[2] = x(i,2);

        auto unwrap = DomainKokkos::unmap(prd,h,triclinic,x_i,image(i));

        dx = unwrap[0] - xcm[0];

        dy = unwrap[1] - xcm[1];

        dz = unwrap[2] - xcm[2];

        auto dx = unwrap[0] - xcm[0];

        auto dy = unwrap[1] - xcm[1];

        auto dz = unwrap[2] - xcm[2];

        v(i,0) -= omega[1]*dz - omega[2]*dy;

        v(i,1) -= omega[2]*dx - omega[0]*dz;

        v(i,2) -= omega[0]*dy - omega[1]*dx;

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