From 12731f23a7cf3df54f2a65d8203d2ac3070853a5 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Tue, 11 Apr 2023 16:51:04 -0600 Subject: [PATCH] Fix more issues --- src/KOKKOS/fix_neigh_history_kokkos.h | 4 ++-- src/KOKKOS/fix_qeq_reaxff_kokkos.h | 4 ++-- src/KOKKOS/fix_shake_kokkos.cpp | 3 ++- src/KOKKOS/fix_shake_kokkos.h | 4 ++-- src/KOKKOS/fix_wall_gran_kokkos.h | 4 ++-- 5 files changed, 10 insertions(+), 9 deletions(-) diff --git a/src/KOKKOS/fix_neigh_history_kokkos.h b/src/KOKKOS/fix_neigh_history_kokkos.h index 9ae7fbe4c3..6f29c817b8 100644 --- a/src/KOKKOS/fix_neigh_history_kokkos.h +++ b/src/KOKKOS/fix_neigh_history_kokkos.h @@ -67,11 +67,11 @@ class FixNeighHistoryKokkos : public FixNeighHistory, public KokkosBase { int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf, DAT::tdual_int_1d k_sendlist, DAT::tdual_int_1d k_copylist, - ExecutionSpace space); + ExecutionSpace space) override; void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, DAT::tdual_int_1d &indices,int nrecv, - ExecutionSpace space); + ExecutionSpace space) override; typename DAT::tdual_int_2d k_firstflag; typename DAT::tdual_float_2d k_firstvalue; diff --git a/src/KOKKOS/fix_qeq_reaxff_kokkos.h b/src/KOKKOS/fix_qeq_reaxff_kokkos.h index 2b6b286819..29faefe56b 100644 --- a/src/KOKKOS/fix_qeq_reaxff_kokkos.h +++ b/src/KOKKOS/fix_qeq_reaxff_kokkos.h @@ -139,11 +139,11 @@ class FixQEqReaxFFKokkos : public FixQEqReaxFF, public KokkosBase { int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf, DAT::tdual_int_1d k_sendlist, DAT::tdual_int_1d k_copylist, - ExecutionSpace space); + ExecutionSpace space) override; void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, DAT::tdual_int_1d &indices,int nrecv, - ExecutionSpace space); + ExecutionSpace space) override; struct params_qeq{ KOKKOS_INLINE_FUNCTION diff --git a/src/KOKKOS/fix_shake_kokkos.cpp b/src/KOKKOS/fix_shake_kokkos.cpp index 4654115e81..7d5349e7e2 100644 --- a/src/KOKKOS/fix_shake_kokkos.cpp +++ b/src/KOKKOS/fix_shake_kokkos.cpp @@ -209,7 +209,7 @@ void FixShakeKokkos::pre_neighbor() // local copies of atom quantities // used by SHAKE until next re-neighboring - atomKK->sync(execution_space,X_MASK|SAMETAG_MASK); + atomKK->sync(execution_space,X_MASK); ebond = 0.0; d_x = atomKK->k_x.view(); @@ -250,6 +250,7 @@ void FixShakeKokkos::pre_neighbor() k_map_hash = atomKK->k_map_hash; } + k_sametag.sync(); d_sametag = atomKK->k_sametag.view(); // build list of SHAKE clusters I compute diff --git a/src/KOKKOS/fix_shake_kokkos.h b/src/KOKKOS/fix_shake_kokkos.h index 70780b6c82..650ad52287 100644 --- a/src/KOKKOS/fix_shake_kokkos.h +++ b/src/KOKKOS/fix_shake_kokkos.h @@ -107,11 +107,11 @@ class FixShakeKokkos : public FixShake, public KokkosBase { int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf, DAT::tdual_int_1d k_sendlist, DAT::tdual_int_1d k_copylist, - ExecutionSpace space); + ExecutionSpace space) override; void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, DAT::tdual_int_1d &indices,int nrecv, - ExecutionSpace space); + ExecutionSpace space) override; protected: typename AT::t_x_array d_x; diff --git a/src/KOKKOS/fix_wall_gran_kokkos.h b/src/KOKKOS/fix_wall_gran_kokkos.h index 39ce0bafa5..4d80528fb8 100644 --- a/src/KOKKOS/fix_wall_gran_kokkos.h +++ b/src/KOKKOS/fix_wall_gran_kokkos.h @@ -63,11 +63,11 @@ class FixWallGranKokkos : public FixWallGranOld, public KokkosBase { int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf, DAT::tdual_int_1d k_sendlist, DAT::tdual_int_1d k_copylist, - ExecutionSpace space); + ExecutionSpace space) override; void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, DAT::tdual_int_1d &indices,int nrecv, - ExecutionSpace space); + ExecutionSpace space) override; private: X_FLOAT wlo;