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CUDA should work now

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This commit is contained in:
mkanski
2022-11-10 18:52:28 +01:00
parent 9a78f45c09
commit 27bd28bf34
2 changed files with 4 additions and 15 deletions
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13
src/KOKKOS/fix_viscous_kokkos.cpp
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@ -17,16 +17,12 @@
#include "atom_kokkos.h" #include "atom_kokkos.h"
#include "update.h" #include "update.h"
#include "modify.h" #include "modify.h"
#include "domain.h"
#include "input.h" #include "input.h"
#include "variable.h"
#include "memory_kokkos.h" #include "memory_kokkos.h"
#include "error.h" #include "error.h"
#include "atom_masks.h" #include "atom_masks.h"
#include "kokkos_base.h" #include "kokkos_base.h"
#include <cstring>
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
using namespace FixConst; using namespace FixConst;
@ -49,7 +45,6 @@ template<class DeviceType>
FixViscousKokkos<DeviceType>::~FixViscousKokkos() FixViscousKokkos<DeviceType>::~FixViscousKokkos()
{ {
if (copymode) return; if (copymode) return;
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
@ -61,10 +56,9 @@ void FixViscousKokkos<DeviceType>::init()
k_gamma = Kokkos::DualView<double*, Kokkos::LayoutRight, DeviceType>("FixViscousKokkos:gamma",atom->ntypes+1); k_gamma = Kokkos::DualView<double*, Kokkos::LayoutRight, DeviceType>("FixViscousKokkos:gamma",atom->ntypes+1);
gamma2 = k_gamma.template view<DeviceType>();
for (int i = 1; i <= atom->ntypes; i++) k_gamma.h_view(i) = gamma[i]; for (int i = 1; i <= atom->ntypes; i++) k_gamma.h_view(i) = gamma[i];
k_gamma.template modify<LMPHostType>();
k_gamma.template sync<DeviceType>(); k_gamma.template sync<DeviceType>();
if (utils::strmatch(update->integrate_style,"^respa")) if (utils::strmatch(update->integrate_style,"^respa"))
@ -76,7 +70,7 @@ void FixViscousKokkos<DeviceType>::init()
template<class DeviceType> template<class DeviceType>
void FixViscousKokkos<DeviceType>::post_force(int /*vflag*/) void FixViscousKokkos<DeviceType>::post_force(int /*vflag*/)
{ {
atomKK->sync(execution_space, V_MASK | F_MASK | MASK_MASK); atomKK->sync(execution_space, V_MASK | F_MASK | MASK_MASK | TYPE_MASK);
v = atomKK->k_v.view<DeviceType>(); v = atomKK->k_v.view<DeviceType>();
f = atomKK->k_f.view<DeviceType>(); f = atomKK->k_f.view<DeviceType>();
@ -90,14 +84,13 @@ void FixViscousKokkos<DeviceType>::post_force(int /*vflag*/)
copymode = 0; copymode = 0;
atomKK->modified(execution_space, F_MASK); atomKK->modified(execution_space, F_MASK);
} }
template<class DeviceType> template<class DeviceType>
KOKKOS_INLINE_FUNCTION KOKKOS_INLINE_FUNCTION
void FixViscousKokkos<DeviceType>::operator()(TagFixViscous, const int &i) const { void FixViscousKokkos<DeviceType>::operator()(TagFixViscous, const int &i) const {
if (mask[i] & groupbit) { if (mask[i] & groupbit) {
double drag = gamma2(type[i]); double drag = k_gamma.d_view(type[i]);
f(i,0) -= drag*v(i,0); f(i,0) -= drag*v(i,0);
f(i,1) -= drag*v(i,1); f(i,1) -= drag*v(i,1);
f(i,2) -= drag*v(i,2); f(i,2) -= drag*v(i,2);

4
src/KOKKOS/fix_viscous_kokkos.h
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@ -30,13 +30,10 @@ namespace LAMMPS_NS {
struct TagFixViscous{}; struct TagFixViscous{};
struct TagFixViscousNonConstant{};
template<class DeviceType> template<class DeviceType>
class FixViscousKokkos : public FixViscous { class FixViscousKokkos : public FixViscous {
public: public:
typedef DeviceType device_type; typedef DeviceType device_type;
// typedef double_3 value_type;
typedef ArrayTypes<DeviceType> AT; typedef ArrayTypes<DeviceType> AT;
FixViscousKokkos(class LAMMPS *, int, char **); FixViscousKokkos(class LAMMPS *, int, char **);
@ -54,7 +51,6 @@ class FixViscousKokkos : public FixViscous {
typename AT::t_int_1d_randomread type; typename AT::t_int_1d_randomread type;
Kokkos::DualView<double*, Kokkos::LayoutRight, DeviceType> k_gamma; Kokkos::DualView<double*, Kokkos::LayoutRight, DeviceType> k_gamma;
typename Kokkos::DualView<double*,Kokkos::LayoutRight,DeviceType>::t_dev_const_um gamma2;
}; };
} }