ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fix more issues

Browse Source
This commit is contained in:
Stan Moore
2023-04-11 16:51:04 -06:00
parent 4a760f5e81
commit 12731f23a7
5 changed files with 10 additions and 9 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
src/KOKKOS/fix_neigh_history_kokkos.h
View File

@ -67,11 +67,11 @@ class FixNeighHistoryKokkos : public FixNeighHistory, public KokkosBase {
int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf, int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf,
DAT::tdual_int_1d k_sendlist, DAT::tdual_int_1d k_sendlist,
DAT::tdual_int_1d k_copylist, DAT::tdual_int_1d k_copylist,
ExecutionSpace space); ExecutionSpace space) override;
void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,
DAT::tdual_int_1d &indices,int nrecv, DAT::tdual_int_1d &indices,int nrecv,
ExecutionSpace space); ExecutionSpace space) override;
typename DAT::tdual_int_2d k_firstflag; typename DAT::tdual_int_2d k_firstflag;
typename DAT::tdual_float_2d k_firstvalue; typename DAT::tdual_float_2d k_firstvalue;

4
src/KOKKOS/fix_qeq_reaxff_kokkos.h
View File

@ -139,11 +139,11 @@ class FixQEqReaxFFKokkos : public FixQEqReaxFF, public KokkosBase {
int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf, int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf,
DAT::tdual_int_1d k_sendlist, DAT::tdual_int_1d k_sendlist,
DAT::tdual_int_1d k_copylist, DAT::tdual_int_1d k_copylist,
ExecutionSpace space); ExecutionSpace space) override;
void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,
DAT::tdual_int_1d &indices,int nrecv, DAT::tdual_int_1d &indices,int nrecv,
ExecutionSpace space); ExecutionSpace space) override;
struct params_qeq{ struct params_qeq{
KOKKOS_INLINE_FUNCTION KOKKOS_INLINE_FUNCTION

3
src/KOKKOS/fix_shake_kokkos.cpp
View File

@ -209,7 +209,7 @@ void FixShakeKokkos<DeviceType>::pre_neighbor()
// local copies of atom quantities // local copies of atom quantities
// used by SHAKE until next re-neighboring // used by SHAKE until next re-neighboring
atomKK->sync(execution_space,X_MASK|SAMETAG_MASK); atomKK->sync(execution_space,X_MASK);
ebond = 0.0; ebond = 0.0;
d_x = atomKK->k_x.view<DeviceType>(); d_x = atomKK->k_x.view<DeviceType>();
@ -250,6 +250,7 @@ void FixShakeKokkos<DeviceType>::pre_neighbor()
k_map_hash = atomKK->k_map_hash; k_map_hash = atomKK->k_map_hash;
} }
k_sametag.sync<DeviceType>();
d_sametag = atomKK->k_sametag.view<DeviceType>(); d_sametag = atomKK->k_sametag.view<DeviceType>();
// build list of SHAKE clusters I compute // build list of SHAKE clusters I compute

4
src/KOKKOS/fix_shake_kokkos.h
View File

@ -107,11 +107,11 @@ class FixShakeKokkos : public FixShake, public KokkosBase {
int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf, int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf,
DAT::tdual_int_1d k_sendlist, DAT::tdual_int_1d k_sendlist,
DAT::tdual_int_1d k_copylist, DAT::tdual_int_1d k_copylist,
ExecutionSpace space); ExecutionSpace space) override;
void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,
DAT::tdual_int_1d &indices,int nrecv, DAT::tdual_int_1d &indices,int nrecv,
ExecutionSpace space); ExecutionSpace space) override;
protected: protected:
typename AT::t_x_array d_x; typename AT::t_x_array d_x;

4
src/KOKKOS/fix_wall_gran_kokkos.h
View File

@ -63,11 +63,11 @@ class FixWallGranKokkos : public FixWallGranOld, public KokkosBase {
int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf, int pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &buf,
DAT::tdual_int_1d k_sendlist, DAT::tdual_int_1d k_sendlist,
DAT::tdual_int_1d k_copylist, DAT::tdual_int_1d k_copylist,
ExecutionSpace space); ExecutionSpace space) override;
void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, void unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,
DAT::tdual_int_1d &indices,int nrecv, DAT::tdual_int_1d &indices,int nrecv,
ExecutionSpace space); ExecutionSpace space) override;
private: private:
X_FLOAT wlo; X_FLOAT wlo;