From 1834a5e46c3a482df1740b3a5c37a07ffe277b67 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Thu, 2 Feb 2017 14:58:04 -0700 Subject: [PATCH] Fixing more Kokkos per-atom and fdotr issues --- src/KOKKOS/angle_charmm_kokkos.cpp | 4 ++-- src/KOKKOS/bond_fene_kokkos.cpp | 4 ++-- src/KOKKOS/bond_fene_kokkos.h | 4 ++-- src/KOKKOS/bond_harmonic_kokkos.cpp | 4 ++-- src/KOKKOS/dihedral_charmm_kokkos.cpp | 8 ++++---- src/KOKKOS/dihedral_opls_kokkos.cpp | 4 ++-- src/KOKKOS/dihedral_opls_kokkos.h | 4 ++-- src/KOKKOS/improper_harmonic_kokkos.cpp | 4 ++-- src/KOKKOS/pair_coul_debye_kokkos.h | 1 + src/KOKKOS/pair_coul_dsf_kokkos.cpp | 4 ++-- src/KOKKOS/pair_coul_dsf_kokkos.h | 4 ++-- src/KOKKOS/pair_coul_wolf_kokkos.cpp | 4 ++-- src/KOKKOS/pair_coul_wolf_kokkos.h | 4 ++-- src/KOKKOS/pair_eam_alloy_kokkos.cpp | 4 ++-- src/KOKKOS/pair_eam_alloy_kokkos.h | 4 ++-- src/KOKKOS/pair_eam_fs_kokkos.cpp | 4 ++-- src/KOKKOS/pair_eam_fs_kokkos.h | 4 ++-- src/KOKKOS/pair_eam_kokkos.cpp | 4 ++-- src/KOKKOS/pair_eam_kokkos.h | 4 ++-- src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h | 1 + src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h | 1 + src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h | 1 + src/KOKKOS/pair_reax_c_kokkos.h | 2 +- src/KOKKOS/pair_sw_kokkos.cpp | 4 ++-- src/KOKKOS/pair_sw_kokkos.h | 4 ++-- src/KOKKOS/pair_tersoff_kokkos.cpp | 4 ++-- src/KOKKOS/pair_tersoff_kokkos.h | 4 ++-- src/KOKKOS/pair_tersoff_mod_kokkos.cpp | 4 ++-- src/KOKKOS/pair_tersoff_mod_kokkos.h | 4 ++-- src/KOKKOS/pair_tersoff_zbl_kokkos.cpp | 4 ++-- src/KOKKOS/pair_tersoff_zbl_kokkos.h | 4 ++-- src/KOKKOS/pair_vashishta_kokkos.cpp | 4 ++-- src/KOKKOS/pair_vashishta_kokkos.h | 4 ++-- 33 files changed, 63 insertions(+), 59 deletions(-) diff --git a/src/KOKKOS/angle_charmm_kokkos.cpp b/src/KOKKOS/angle_charmm_kokkos.cpp index b4e2d47f36..e2a605b802 100644 --- a/src/KOKKOS/angle_charmm_kokkos.cpp +++ b/src/KOKKOS/angle_charmm_kokkos.cpp @@ -73,14 +73,14 @@ void AngleCharmmKokkos::compute(int eflag_in, int vflag_in) //if(k_eatom.dimension_0()destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"improper:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.template view(); //} } if (vflag_atom) { //if(k_vatom.dimension_0()destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"improper:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.template view(); //} } diff --git a/src/KOKKOS/bond_fene_kokkos.cpp b/src/KOKKOS/bond_fene_kokkos.cpp index b8b0295182..b10469b45e 100644 --- a/src/KOKKOS/bond_fene_kokkos.cpp +++ b/src/KOKKOS/bond_fene_kokkos.cpp @@ -77,12 +77,12 @@ void BondFENEKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"bond:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"bond:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } k_k.template sync(); diff --git a/src/KOKKOS/bond_fene_kokkos.h b/src/KOKKOS/bond_fene_kokkos.h index ef37992925..c630abcafc 100644 --- a/src/KOKKOS/bond_fene_kokkos.h +++ b/src/KOKKOS/bond_fene_kokkos.h @@ -66,8 +66,8 @@ class BondFENEKokkos : public BondFENE { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; DAT::tdual_int_scalar k_warning_flag; typename AT::t_int_scalar d_warning_flag; diff --git a/src/KOKKOS/bond_harmonic_kokkos.cpp b/src/KOKKOS/bond_harmonic_kokkos.cpp index d07923901f..aead602747 100644 --- a/src/KOKKOS/bond_harmonic_kokkos.cpp +++ b/src/KOKKOS/bond_harmonic_kokkos.cpp @@ -70,14 +70,14 @@ void BondHarmonicKokkos::compute(int eflag_in, int vflag_in) //if(k_eatom.dimension_0()destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"improper:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.template view(); //} } if (vflag_atom) { //if(k_vatom.dimension_0()destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"improper:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.template view(); //} } diff --git a/src/KOKKOS/dihedral_charmm_kokkos.cpp b/src/KOKKOS/dihedral_charmm_kokkos.cpp index e623b70857..0af9fc4e83 100644 --- a/src/KOKKOS/dihedral_charmm_kokkos.cpp +++ b/src/KOKKOS/dihedral_charmm_kokkos.cpp @@ -83,18 +83,18 @@ void DihedralCharmmKokkos::compute(int eflag_in, int vflag_in) //if(k_eatom.dimension_0()destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"dihedral:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.template view(); k_eatom_pair = Kokkos::DualView("dihedral:eatom_pair",maxeatom); - d_eatom_pair = k_eatom.d_view; + d_eatom_pair = k_eatom.template view(); //} } if (vflag_atom) { //if(k_vatom.dimension_0()destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"dihedral:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.template view(); k_vatom_pair = Kokkos::DualView("dihedral:vatom_pair",maxvatom); - d_vatom_pair = k_vatom.d_view; + d_vatom_pair = k_vatom.template view(); //} } diff --git a/src/KOKKOS/dihedral_opls_kokkos.cpp b/src/KOKKOS/dihedral_opls_kokkos.cpp index ed4a5b259c..5406a6daaf 100644 --- a/src/KOKKOS/dihedral_opls_kokkos.cpp +++ b/src/KOKKOS/dihedral_opls_kokkos.cpp @@ -77,12 +77,12 @@ void DihedralOPLSKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"dihedral:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"dihedral:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } k_k1.template sync(); diff --git a/src/KOKKOS/dihedral_opls_kokkos.h b/src/KOKKOS/dihedral_opls_kokkos.h index 5bf2552d9b..0a8860c87c 100644 --- a/src/KOKKOS/dihedral_opls_kokkos.h +++ b/src/KOKKOS/dihedral_opls_kokkos.h @@ -68,8 +68,8 @@ class DihedralOPLSKokkos : public DihedralOPLS { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; int nlocal,newton_bond; int eflag,vflag; diff --git a/src/KOKKOS/improper_harmonic_kokkos.cpp b/src/KOKKOS/improper_harmonic_kokkos.cpp index 0bf729cdfd..cde7d60e8e 100644 --- a/src/KOKKOS/improper_harmonic_kokkos.cpp +++ b/src/KOKKOS/improper_harmonic_kokkos.cpp @@ -80,14 +80,14 @@ void ImproperHarmonicKokkos::compute(int eflag_in, int vflag_in) //if(k_eatom.dimension_0()destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"improper:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.template view(); //} } if (vflag_atom) { //if(k_vatom.dimension_0()destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"improper:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.template view(); //} } diff --git a/src/KOKKOS/pair_coul_debye_kokkos.h b/src/KOKKOS/pair_coul_debye_kokkos.h index 143b1c2354..b6e87b55f7 100644 --- a/src/KOKKOS/pair_coul_debye_kokkos.h +++ b/src/KOKKOS/pair_coul_debye_kokkos.h @@ -128,6 +128,7 @@ class PairCoulDebyeKokkos : public PairCoulDebye { friend EV_FLOAT pair_compute_neighlist(PairCoulDebyeKokkos*,NeighListKokkos*); friend EV_FLOAT pair_compute(PairCoulDebyeKokkos*, NeighListKokkos*); + friend void pair_virial_fdotr_compute(PairCoulDebyeKokkos*); }; diff --git a/src/KOKKOS/pair_coul_dsf_kokkos.cpp b/src/KOKKOS/pair_coul_dsf_kokkos.cpp index 3ca1fb8ea4..948a234a4a 100644 --- a/src/KOKKOS/pair_coul_dsf_kokkos.cpp +++ b/src/KOKKOS/pair_coul_dsf_kokkos.cpp @@ -88,12 +88,12 @@ void PairCoulDSFKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } atomKK->sync(execution_space,datamask_read); diff --git a/src/KOKKOS/pair_coul_dsf_kokkos.h b/src/KOKKOS/pair_coul_dsf_kokkos.h index 33740aa916..49b1806e3c 100644 --- a/src/KOKKOS/pair_coul_dsf_kokkos.h +++ b/src/KOKKOS/pair_coul_dsf_kokkos.h @@ -62,12 +62,12 @@ class PairCoulDSFKokkos : public PairCoulDSF { KOKKOS_INLINE_FUNCTION int sbmask(const int& j) const; - protected: - typename AT::t_x_array_randomread x; typename AT::t_f_array f; typename AT::t_float_1d_randomread q; + protected: + DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; typename AT::t_efloat_1d d_eatom; diff --git a/src/KOKKOS/pair_coul_wolf_kokkos.cpp b/src/KOKKOS/pair_coul_wolf_kokkos.cpp index 22a11c4a18..55b19958a3 100644 --- a/src/KOKKOS/pair_coul_wolf_kokkos.cpp +++ b/src/KOKKOS/pair_coul_wolf_kokkos.cpp @@ -83,12 +83,12 @@ void PairCoulWolfKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } atomKK->sync(execution_space,datamask_read); diff --git a/src/KOKKOS/pair_coul_wolf_kokkos.h b/src/KOKKOS/pair_coul_wolf_kokkos.h index cedafe7a21..f6da745de3 100644 --- a/src/KOKKOS/pair_coul_wolf_kokkos.h +++ b/src/KOKKOS/pair_coul_wolf_kokkos.h @@ -70,8 +70,8 @@ class PairCoulWolfKokkos : public PairCoulWolf { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; int neighflag,newton_pair; diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp index 866fe2cfa1..491ec10f66 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp +++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp @@ -82,12 +82,12 @@ void PairEAMAlloyKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } atomKK->sync(execution_space,datamask_read); diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.h b/src/KOKKOS/pair_eam_alloy_kokkos.h index 44420f2d9e..d8c745b230 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.h +++ b/src/KOKKOS/pair_eam_alloy_kokkos.h @@ -125,8 +125,8 @@ class PairEAMAlloyKokkos : public PairEAM { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; DAT::tdual_ffloat_1d k_rho; DAT::tdual_ffloat_1d k_fp; diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp index ba450b0872..006db6abc2 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.cpp +++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp @@ -82,12 +82,12 @@ void PairEAMFSKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } atomKK->sync(execution_space,datamask_read); diff --git a/src/KOKKOS/pair_eam_fs_kokkos.h b/src/KOKKOS/pair_eam_fs_kokkos.h index 7bb4d0abfb..40375af066 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.h +++ b/src/KOKKOS/pair_eam_fs_kokkos.h @@ -125,8 +125,8 @@ class PairEAMFSKokkos : public PairEAM { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; DAT::tdual_ffloat_1d k_rho; DAT::tdual_ffloat_1d k_fp; diff --git a/src/KOKKOS/pair_eam_kokkos.cpp b/src/KOKKOS/pair_eam_kokkos.cpp index 3d8223ed66..656dd11c62 100644 --- a/src/KOKKOS/pair_eam_kokkos.cpp +++ b/src/KOKKOS/pair_eam_kokkos.cpp @@ -77,12 +77,12 @@ void PairEAMKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } atomKK->sync(execution_space,datamask_read); diff --git a/src/KOKKOS/pair_eam_kokkos.h b/src/KOKKOS/pair_eam_kokkos.h index d36ef0f95a..229b16471d 100644 --- a/src/KOKKOS/pair_eam_kokkos.h +++ b/src/KOKKOS/pair_eam_kokkos.h @@ -122,8 +122,8 @@ class PairEAMKokkos : public PairEAM { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; DAT::tdual_ffloat_1d k_rho; DAT::tdual_ffloat_1d k_fp; diff --git a/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h index 7dcee07400..4dd9379821 100644 --- a/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h @@ -116,6 +116,7 @@ class PairLJCutCoulCutKokkos : public PairLJCutCoulCut { friend EV_FLOAT pair_compute_neighlist(PairLJCutCoulCutKokkos*,NeighListKokkos*); friend EV_FLOAT pair_compute(PairLJCutCoulCutKokkos*, NeighListKokkos*); + friend void pair_virial_fdotr_compute(PairLJCutCoulCutKokkos*); }; diff --git a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h index 2f13db57c7..315969bc62 100644 --- a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h @@ -116,6 +116,7 @@ class PairLJCutCoulDebyeKokkos : public PairLJCutCoulDebye { friend EV_FLOAT pair_compute_neighlist(PairLJCutCoulDebyeKokkos*,NeighListKokkos*); friend EV_FLOAT pair_compute(PairLJCutCoulDebyeKokkos*, NeighListKokkos*); + friend void pair_virial_fdotr_compute(PairLJCutCoulDebyeKokkos*); }; diff --git a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h index 13030fbf7c..558d40e174 100644 --- a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h @@ -115,6 +115,7 @@ class PairLJCutCoulDSFKokkos : public PairLJCutCoulDSF { friend EV_FLOAT pair_compute_neighlist(PairLJCutCoulDSFKokkos*,NeighListKokkos*); friend EV_FLOAT pair_compute(PairLJCutCoulDSFKokkos*, NeighListKokkos*); + friend void pair_virial_fdotr_compute(PairLJCutCoulDSFKokkos*); }; diff --git a/src/KOKKOS/pair_reax_c_kokkos.h b/src/KOKKOS/pair_reax_c_kokkos.h index 38ae3bd5b5..8a0c08b660 100644 --- a/src/KOKKOS/pair_reax_c_kokkos.h +++ b/src/KOKKOS/pair_reax_c_kokkos.h @@ -392,7 +392,7 @@ class PairReaxCKokkos : public PairReaxC { typename AT::t_efloat_1d v_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_virial_array d_vatom; typename AT::t_virial_array v_vatom; HAT::t_virial_array h_vatom; diff --git a/src/KOKKOS/pair_sw_kokkos.cpp b/src/KOKKOS/pair_sw_kokkos.cpp index 1190374b30..6b2c1ca04b 100644 --- a/src/KOKKOS/pair_sw_kokkos.cpp +++ b/src/KOKKOS/pair_sw_kokkos.cpp @@ -88,12 +88,12 @@ void PairSWKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } atomKK->sync(execution_space,datamask_read); diff --git a/src/KOKKOS/pair_sw_kokkos.h b/src/KOKKOS/pair_sw_kokkos.h index b5bd74d19b..d899edfc1b 100644 --- a/src/KOKKOS/pair_sw_kokkos.h +++ b/src/KOKKOS/pair_sw_kokkos.h @@ -125,8 +125,8 @@ class PairSWKokkos : public PairSW { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; DAT::t_int_1d_randomread d_type2frho; DAT::t_int_2d_randomread d_type2rhor; diff --git a/src/KOKKOS/pair_tersoff_kokkos.cpp b/src/KOKKOS/pair_tersoff_kokkos.cpp index 63f34b2786..6e1981a31e 100644 --- a/src/KOKKOS/pair_tersoff_kokkos.cpp +++ b/src/KOKKOS/pair_tersoff_kokkos.cpp @@ -172,12 +172,12 @@ void PairTersoffKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } atomKK->sync(execution_space,datamask_read); diff --git a/src/KOKKOS/pair_tersoff_kokkos.h b/src/KOKKOS/pair_tersoff_kokkos.h index cc8c0c8ec7..d34cbe0783 100644 --- a/src/KOKKOS/pair_tersoff_kokkos.h +++ b/src/KOKKOS/pair_tersoff_kokkos.h @@ -197,8 +197,8 @@ class PairTersoffKokkos : public PairTersoff { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; typedef Kokkos::DualView tdual_ffloat_2d_n7; typedef typename tdual_ffloat_2d_n7::t_dev_const_randomread t_ffloat_2d_n7_randomread; diff --git a/src/KOKKOS/pair_tersoff_mod_kokkos.cpp b/src/KOKKOS/pair_tersoff_mod_kokkos.cpp index bba13e16ac..0be7a7c05b 100644 --- a/src/KOKKOS/pair_tersoff_mod_kokkos.cpp +++ b/src/KOKKOS/pair_tersoff_mod_kokkos.cpp @@ -172,12 +172,12 @@ void PairTersoffMODKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } atomKK->sync(execution_space,datamask_read); diff --git a/src/KOKKOS/pair_tersoff_mod_kokkos.h b/src/KOKKOS/pair_tersoff_mod_kokkos.h index aaa4e51dd9..540aad659e 100644 --- a/src/KOKKOS/pair_tersoff_mod_kokkos.h +++ b/src/KOKKOS/pair_tersoff_mod_kokkos.h @@ -197,8 +197,8 @@ class PairTersoffMODKokkos : public PairTersoffMOD { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; typedef Kokkos::DualView tdual_ffloat_2d_n7; typedef typename tdual_ffloat_2d_n7::t_dev_const_randomread t_ffloat_2d_n7_randomread; diff --git a/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp b/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp index b52b3686af..6d89226324 100644 --- a/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp +++ b/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp @@ -186,12 +186,12 @@ void PairTersoffZBLKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } atomKK->sync(execution_space,datamask_read); diff --git a/src/KOKKOS/pair_tersoff_zbl_kokkos.h b/src/KOKKOS/pair_tersoff_zbl_kokkos.h index 31c5912ff6..58d21ecae3 100644 --- a/src/KOKKOS/pair_tersoff_zbl_kokkos.h +++ b/src/KOKKOS/pair_tersoff_zbl_kokkos.h @@ -202,8 +202,8 @@ class PairTersoffZBLKokkos : public PairTersoffZBL { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; typedef Kokkos::DualView tdual_ffloat_2d_n7; typedef typename tdual_ffloat_2d_n7::t_dev_const_randomread t_ffloat_2d_n7_randomread; diff --git a/src/KOKKOS/pair_vashishta_kokkos.cpp b/src/KOKKOS/pair_vashishta_kokkos.cpp index a87766bfb2..2e73bd6eb4 100644 --- a/src/KOKKOS/pair_vashishta_kokkos.cpp +++ b/src/KOKKOS/pair_vashishta_kokkos.cpp @@ -87,12 +87,12 @@ void PairVashishtaKokkos::compute(int eflag_in, int vflag_in) if (eflag_atom) { memory->destroy_kokkos(k_eatom,eatom); memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - d_eatom = k_eatom.d_view; + d_eatom = k_eatom.view(); } if (vflag_atom) { memory->destroy_kokkos(k_vatom,vatom); memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - d_vatom = k_vatom.d_view; + d_vatom = k_vatom.view(); } atomKK->sync(execution_space,datamask_read); diff --git a/src/KOKKOS/pair_vashishta_kokkos.h b/src/KOKKOS/pair_vashishta_kokkos.h index 1793f0ee5e..49c936185d 100644 --- a/src/KOKKOS/pair_vashishta_kokkos.h +++ b/src/KOKKOS/pair_vashishta_kokkos.h @@ -125,8 +125,8 @@ class PairVashishtaKokkos : public PairVashishta { DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; - DAT::t_efloat_1d d_eatom; - DAT::t_virial_array d_vatom; + typename ArrayTypes::t_efloat_1d d_eatom; + typename ArrayTypes::t_virial_array d_vatom; DAT::t_int_1d_randomread d_type2frho; DAT::t_int_2d_randomread d_type2rhor;