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Add missing grow to Kokkos unpack_exchange

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This commit is contained in:
Stan Gerald Moore
2022-06-28 08:51:07 -06:00
parent f65bc76326
commit 9bc1968e36
9 changed files with 22 additions and 0 deletions
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3
src/KOKKOS/atom_vec_angle_kokkos.cpp
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@ -1391,6 +1391,9 @@ int AtomVecAngleKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,int n
int nlocal,int dim,X_FLOAT lo,X_FLOAT hi,
ExecutionSpace space) {
const size_t elements = 17+atom->maxspecial+2*atom->bond_per_atom+4*atom->angle_per_atom;
while (nlocal + nrecv/elements >= nmax) grow(0);
if (space == Host) {
k_count.h_view(0) = nlocal;
AtomVecAngleKokkos_UnpackExchangeFunctor<LMPHostType>

2
src/KOKKOS/atom_vec_atomic_kokkos.cpp
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@ -649,6 +649,8 @@ struct AtomVecAtomicKokkos_UnpackExchangeFunctor {
/* ---------------------------------------------------------------------- */
int AtomVecAtomicKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,int nrecv,int nlocal,int dim,X_FLOAT lo,X_FLOAT hi,ExecutionSpace space) {
while (nlocal + nrecv/11 >= nmax) grow(0);
if (space == Host) {
k_count.h_view(0) = nlocal;
AtomVecAtomicKokkos_UnpackExchangeFunctor<LMPHostType> f(atomKK,k_buf,k_count,dim,lo,hi);

3
src/KOKKOS/atom_vec_bond_kokkos.cpp
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@ -845,6 +845,9 @@ int AtomVecBondKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,int nr
int nlocal,int dim,X_FLOAT lo,X_FLOAT hi,
ExecutionSpace space) {
const size_t elements = 16+atomKK->maxspecial+atomKK->bond_per_atom+atomKK->bond_per_atom;
while (nlocal + nrecv/elements >= nmax) grow(0);
if (space == Host) {
k_count.h_view(0) = nlocal;
AtomVecBondKokkos_UnpackExchangeFunctor<LMPHostType>

2
src/KOKKOS/atom_vec_charge_kokkos.cpp
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@ -774,6 +774,8 @@ struct AtomVecChargeKokkos_UnpackExchangeFunctor {
int AtomVecChargeKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,int nrecv,
int nlocal,int dim,X_FLOAT lo,X_FLOAT hi,
ExecutionSpace space) {
while (nlocal + nrecv/12 >= nmax) grow(0);
if (space == Host) {
k_count.h_view(0) = nlocal;
AtomVecChargeKokkos_UnpackExchangeFunctor<LMPHostType> f(atomKK,k_buf,k_count,dim,lo,hi);

2
src/KOKKOS/atom_vec_dpd_kokkos.cpp
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@ -1505,6 +1505,8 @@ struct AtomVecDPDKokkos_UnpackExchangeFunctor {
/* ---------------------------------------------------------------------- */
int AtomVecDPDKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,int nrecv,int nlocal,int dim,X_FLOAT lo,X_FLOAT hi,ExecutionSpace space) {
while (nlocal + nrecv/17 >= nmax) grow(0);
if (space == Host) {
k_count.h_view(0) = nlocal;
AtomVecDPDKokkos_UnpackExchangeFunctor<LMPHostType> f(atomKK,k_buf,k_count,dim,lo,hi);

3
src/KOKKOS/atom_vec_full_kokkos.cpp
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@ -1186,6 +1186,9 @@ int AtomVecFullKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,int nr
ExecutionSpace space) {
const size_t elements = 20+atom->maxspecial+2*atom->bond_per_atom+4*atom->angle_per_atom+
5*atom->dihedral_per_atom + 5*atom->improper_per_atom;
while (nlocal + nrecv/elements >= nmax) grow(0);
if (space == Host) {
k_count.h_view(0) = nlocal;
AtomVecFullKokkos_UnpackExchangeFunctor<LMPHostType>

3
src/KOKKOS/atom_vec_molecular_kokkos.cpp
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@ -1594,6 +1594,9 @@ int AtomVecMolecularKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,i
ExecutionSpace space) {
const size_t elements = 19+atom->maxspecial+2*atom->bond_per_atom+4*atom->angle_per_atom+
5*atom->dihedral_per_atom + 5*atom->improper_per_atom;
while (nlocal + nrecv/elements >= nmax) grow(0);
if (space == Host) {
k_count.h_view(0) = nlocal;
AtomVecMolecularKokkos_UnpackExchangeFunctor<LMPHostType>

2
src/KOKKOS/atom_vec_sphere_kokkos.cpp
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@ -2341,6 +2341,8 @@ struct AtomVecSphereKokkos_UnpackExchangeFunctor {
/* ---------------------------------------------------------------------- */
int AtomVecSphereKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,int nrecv,int nlocal,int dim,X_FLOAT lo,X_FLOAT hi,ExecutionSpace space) {
while (nlocal + nrecv/16 >= nmax) grow(0);
if (space == Host) {
k_count.h_view(0) = nlocal;
AtomVecSphereKokkos_UnpackExchangeFunctor<LMPHostType> f(atomKK,k_buf,k_count,dim,lo,hi);

2
src/KOKKOS/atom_vec_spin_kokkos.cpp
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@ -863,6 +863,8 @@ struct AtomVecSpinKokkos_UnpackExchangeFunctor {
int AtomVecSpinKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,int nrecv,
int nlocal,int dim,X_FLOAT lo,X_FLOAT hi,
ExecutionSpace space) {
while (nlocal + nrecv/15 >= nmax) grow(0);
if(space == Host) {
k_count.h_view(0) = nlocal;
AtomVecSpinKokkos_UnpackExchangeFunctor<LMPHostType> f(atomKK,k_buf,k_count,dim,lo,hi);