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Fixing GPU memory issues in atom_vec_dpd_kokkos

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This commit is contained in:
Stan Moore
2017-01-18 12:53:40 -07:00
parent b38733e5a2
commit 2d32fa8ccb
1 changed files with 28 additions and 17 deletions
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45
src/KOKKOS/atom_vec_dpd_kokkos.cpp
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@ -256,7 +256,7 @@ int AtomVecDPDKokkos::pack_comm_kokkos(const int &n,
// Choose correct forward PackComm kernel
if(commKK->forward_comm_on_host) {
sync(Host,X_MASK);
sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
if(pbc_flag) {
if(domain->triclinic) {
struct AtomVecDPDKokkos_PackComm<LMPHostType,1,1> f(atomKK->k_x,
@ -292,7 +292,7 @@ int AtomVecDPDKokkos::pack_comm_kokkos(const int &n,
}
LMPHostType::fence();
} else {
sync(Device,X_MASK);
sync(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
if(pbc_flag) {
if(domain->triclinic) {
struct AtomVecDPDKokkos_PackComm<LMPDeviceType,1,1> f(atomKK->k_x,
@ -400,8 +400,8 @@ struct AtomVecDPDKokkos_PackCommSelf {
int AtomVecDPDKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d &list, const int & iswap,
const int nfirst, const int &pbc_flag, const int* const pbc) {
if(commKK->forward_comm_on_host) {
sync(Host,X_MASK);
modified(Host,X_MASK);
sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
modified(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
if(pbc_flag) {
if(domain->triclinic) {
struct AtomVecDPDKokkos_PackCommSelf<LMPHostType,1,1> f(atomKK->k_x,
@ -437,8 +437,8 @@ int AtomVecDPDKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d &list
}
LMPHostType::fence();
} else {
sync(Device,X_MASK);
modified(Device,X_MASK);
sync(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
modified(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
if(pbc_flag) {
if(domain->triclinic) {
struct AtomVecDPDKokkos_PackCommSelf<LMPDeviceType,1,1> f(atomKK->k_x,
@ -520,16 +520,16 @@ struct AtomVecDPDKokkos_UnpackComm {
void AtomVecDPDKokkos::unpack_comm_kokkos(const int &n, const int &first,
const DAT::tdual_xfloat_2d &buf ) {
if(commKK->forward_comm_on_host) {
sync(Host,X_MASK);
modified(Host,X_MASK);
sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
modified(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
struct AtomVecDPDKokkos_UnpackComm<LMPHostType> f(atomKK->k_x,
atomKK->k_dpdTheta,atomKK->k_uCond,atomKK->k_uMech,atomKK->k_uChem,
buf,first);
Kokkos::parallel_for(n,f);
LMPDeviceType::fence();
} else {
sync(Device,X_MASK);
modified(Device,X_MASK);
sync(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
modified(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
struct AtomVecDPDKokkos_UnpackComm<LMPDeviceType> f(atomKK->k_x,
atomKK->k_dpdTheta,atomKK->k_uCond,atomKK->k_uMech,atomKK->k_uChem,
buf,first);
@ -1107,9 +1107,13 @@ struct AtomVecDPDKokkos_UnpackBorder {
void AtomVecDPDKokkos::unpack_border_kokkos(const int &n, const int &first,
const DAT::tdual_xfloat_2d &buf,ExecutionSpace space) {
modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK|
UCG_MASK|UCGNEW_MASK);
while (first+n >= nmax) grow(0);
modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK|
UCG_MASK|UCGNEW_MASK);
if(space==Host) {
struct AtomVecDPDKokkos_UnpackBorder<LMPHostType> f(buf.view<LMPHostType>(),
h_x,h_tag,h_type,h_mask,
@ -1137,7 +1141,9 @@ void AtomVecDPDKokkos::unpack_border(int n, int first, double *buf)
last = first + n;
for (i = first; i < last; i++) {
if (i == nmax) grow(0);
modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK|
UCG_MASK|UCGNEW_MASK);
h_x(i,0) = buf[m++];
h_x(i,1) = buf[m++];
h_x(i,2) = buf[m++];
@ -1168,7 +1174,9 @@ void AtomVecDPDKokkos::unpack_border_vel(int n, int first, double *buf)
last = first + n;
for (i = first; i < last; i++) {
if (i == nmax) grow(0);
modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK|
UCG_MASK|UCGNEW_MASK);
h_x(i,0) = buf[m++];
h_x(i,1) = buf[m++];
h_x(i,2) = buf[m++];
@ -1489,7 +1497,8 @@ int AtomVecDPDKokkos::unpack_exchange(double *buf)
int nlocal = atom->nlocal;
if (nlocal == nmax) grow(0);
modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK);
MASK_MASK | IMAGE_MASK| DPDTHETA_MASK | UCOND_MASK |
UMECH_MASK | UCHEM_MASK | UCG_MASK | UCGNEW_MASK);
int m = 1;
h_x(nlocal,0) = buf[m++];
@ -1547,7 +1556,8 @@ int AtomVecDPDKokkos::size_restart()
int AtomVecDPDKokkos::pack_restart(int i, double *buf)
{
sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK );
MASK_MASK | IMAGE_MASK | DPDTHETA_MASK |
UCOND_MASK | UMECH_MASK | UCHEM_MASK | DVECTOR_MASK);
int m = 1;
buf[m++] = h_x(i,0);
@ -1586,7 +1596,8 @@ int AtomVecDPDKokkos::unpack_restart(double *buf)
memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK );
MASK_MASK | IMAGE_MASK | DPDTHETA_MASK |
UCOND_MASK | UMECH_MASK | UCHEM_MASK | DVECTOR_MASK);
int m = 1;
h_x(nlocal,0) = buf[m++];