Fixing Kokkos bugs (5bc562b0) · Commits · 郑智淋 / lammps

src/KOKKOS/atom_kokkos.cpp

+7 −0

Original line number	Diff line number	Diff line
		@@ -21,6 +21,7 @@
		#include "atom_masks.h"
		#include "memory.h"
		#include "error.h"
		#include "kokkos.h"

		using namespace LAMMPS_NS;

		@@ -78,6 +79,9 @@ AtomKokkos::~AtomKokkos()

		void AtomKokkos::sync(const ExecutionSpace space, unsigned int mask)
		{
		if (space == Device && lmp->kokkos->auto_sync)
		((AtomVecKokkos *) avec)->modified(Host,mask);

		((AtomVecKokkos *) avec)->sync(space,mask);
		}

		@@ -86,6 +90,9 @@ void AtomKokkos::sync(const ExecutionSpace space, unsigned int mask)
		void AtomKokkos::modified(const ExecutionSpace space, unsigned int mask)
		{
		((AtomVecKokkos *) avec)->modified(space,mask);

		if (space == Device && lmp->kokkos->auto_sync)
		((AtomVecKokkos *) avec)->sync(Host,mask);
		}

		void AtomKokkos::sync_overlapping_device(const ExecutionSpace space, unsigned int mask)

+1 −0

Original line number	Diff line number	Diff line
		@@ -49,6 +49,7 @@ enum{NO_REMAP,X_REMAP,V_REMAP};

		FixDeformKokkos::FixDeformKokkos(LAMMPS lmp, int narg, char *arg) : FixDeform(lmp, narg, arg)
		{
		kokkosable = 1;
		domainKK = (DomainKokkos *) domain;

		datamask_read = EMPTY_MASK;

+1 −0

Original line number	Diff line number	Diff line
		@@ -44,6 +44,7 @@ template<class DeviceType>
		FixLangevinKokkos<DeviceType>::FixLangevinKokkos(LAMMPS lmp, int narg, char *arg) :
		FixLangevin(lmp, narg, arg),rand_pool(seed + comm->me)
		{
		kokkosable = 1;
		atomKK = (AtomKokkos *) atom;
		int ntypes = atomKK->ntypes;

+1 −0

Original line number	Diff line number	Diff line
		@@ -55,6 +55,7 @@ enum{ISO,ANISO,TRICLINIC};
		template<class DeviceType>
		FixNHKokkos<DeviceType>::FixNHKokkos(LAMMPS lmp, int narg, char *arg) : FixNH(lmp, narg, arg)
		{
		kokkosable = 1;
		domainKK = (DomainKokkos *) domain;
		execution_space = ExecutionSpaceFromDevice<DeviceType>::space;

+1 −0

Original line number	Diff line number	Diff line
		@@ -25,6 +25,7 @@ template<class DeviceType>
		FixNPHKokkos<DeviceType>::FixNPHKokkos(LAMMPS lmp, int narg, char *arg) :
		FixNHKokkos<DeviceType>(lmp, narg, arg)
		{
		this->kokkosable = 1;
		if (this->tstat_flag)
		this->error->all(FLERR,"Temperature control can not be used with fix nph");
		if (!this->pstat_flag)