diff --git a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h index 9542853839ba07a97f7db234dfd238785c5711e2..ed35c6d471afdee9b71bcced2612a31e75985b45 100644 --- a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h @@ -87,6 +87,9 @@ class PairLJCutCoulLongKokkos : public PairLJCutCoulLong { typename ArrayTypes<DeviceType>::t_f_array f; typename ArrayTypes<DeviceType>::t_int_1d_randomread type; typename ArrayTypes<DeviceType>::t_float_1d_randomread q; + + DAT::tdual_efloat_1d k_eatom; + DAT::tdual_virial_array k_vatom; typename ArrayTypes<DeviceType>::t_efloat_1d d_eatom; typename ArrayTypes<DeviceType>::t_virial_array d_vatom; diff --git a/src/accelerator_kokkos.h b/src/accelerator_kokkos.h index ecba20da653003f2aac4878cb5c80b37e985c4ed..2a787ef116995c5a2647449ebb708cc210b931de 100644 --- a/src/accelerator_kokkos.h +++ b/src/accelerator_kokkos.h @@ -87,6 +87,7 @@ class ModifyKokkos : public Modify { class DAT { public: typedef double tdual_xfloat_1d; + typedef double tdual_FFT_SCALAR_1d; typedef int t_int_1d; typedef int tdual_int_2d; }; diff --git a/src/kspace.h b/src/kspace.h index 4d1c44c00c662eda37552717584d4b1134dd6f55..e52fb1ec66f7d94bb8f5e7ac5f54df8cb957b7dc 100644 --- a/src/kspace.h +++ b/src/kspace.h @@ -126,10 +126,10 @@ class KSpace : protected Pointers { virtual void pack_reverse(int, FFT_SCALAR *, int, int *) {}; virtual void unpack_reverse(int, FFT_SCALAR *, int, int *) {}; - virtual void pack_forward_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int) {}; - virtual void unpack_forward_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int) {}; - virtual void pack_reverse_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int) {}; - virtual void unpack_reverse_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int) {}; + virtual void pack_forward_kokkos(int, DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {}; + virtual void unpack_forward_kokkos(int, DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {}; + virtual void pack_reverse_kokkos(int, DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {}; + virtual void unpack_reverse_kokkos(int, DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {}; virtual int timing(int, double &, double &) {return 0;} virtual int timing_1d(int, double &) {return 0;}