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This commit is contained in:
Vladislav Galigerov
2024-02-07 16:03:32 +03:00
parent df7662162e
commit e33590b2fc
4 changed files with 22 additions and 22 deletions
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2
doc/src/fix_wall_flow.rst
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@ -129,4 +129,4 @@ The default for the units keyword is lattice.
.. _fbc-Pavlov2:
**(Pavlov2)** Pavlov, Galigerov, Kolotinskii, Nikolskiy, Stegailov, "GPU-based Molecular Dynamics of Fluid Flows: Reaching for Turbulence", Int. J. High Perf. Comp. Appl., (2024)
**(Pavlov2)** Pavlov, Galigerov, Kolotinskii, Nikolskiy, Stegailov, "GPU-based Molecular Dynamics of Fluid Flows: Reaching for Turbulence", Int. J. High Perf. Comp. Appl., (2024)

32
src/KOKKOS/fix_wall_flow_kokkos.cpp
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@ -48,7 +48,7 @@ FixWallFlowKokkos<DeviceType>::FixWallFlowKokkos(LAMMPS *lmp, int narg, char **a
d_walls = d_walls_t("FixWallFlowKokkos::walls", walls.size());
auto h_walls = Kokkos::create_mirror_view(d_walls);
for (int i = 0; i < walls.size(); ++i)
{
{
h_walls(i) = walls[i];
}
Kokkos::deep_copy(d_walls, h_walls);
@ -61,7 +61,7 @@ FixWallFlowKokkos<DeviceType>::~FixWallFlowKokkos()
memoryKK->destroy_kokkos(k_current_segment, current_segment);
}
template <class DeviceType>
template <class DeviceType>
void FixWallFlowKokkos<DeviceType>::init()
{
atomKK->sync(execution_space, datamask_read);
@ -83,10 +83,10 @@ KOKKOS_INLINE_FUNCTION void FixWallFlowKokkos<DeviceType>::operator()(TagFixWall
d_current_segment(i) = compute_current_segment_kk(pos);
}
template <class DeviceType>
void FixWallFlowKokkos<DeviceType>::end_of_step()
template <class DeviceType>
void FixWallFlowKokkos<DeviceType>::end_of_step()
{
atomKK->sync(execution_space, datamask_read);
atomKK->sync(execution_space, datamask_read);
k_current_segment.template sync<DeviceType>();
d_x = atomKK->k_x.template view<DeviceType>();
@ -111,17 +111,17 @@ void FixWallFlowKokkos<DeviceType>::end_of_step()
template <class DeviceType>
template <class MTag>
KOKKOS_INLINE_FUNCTION
KOKKOS_INLINE_FUNCTION
void FixWallFlowKokkos<DeviceType>::operator()(TagFixWallFlowEndOfStep<MTag>,
const int &atom_i) const
{
if (d_mask[atom_i] & groupbit)
{
if (d_mask[atom_i] & groupbit)
{
double pos = d_x(atom_i, flowax);
int prev_segment = d_current_segment(atom_i);
d_current_segment(atom_i) = compute_current_segment_kk(pos);
if (prev_segment != d_current_segment(atom_i))
{
if (prev_segment != d_current_segment(atom_i))
{
generate_velocity_kk<MTag>(atom_i);
}
}
@ -129,7 +129,7 @@ void FixWallFlowKokkos<DeviceType>::operator()(TagFixWallFlowEndOfStep<MTag>,
template<class DeviceType>
template<class MTag>
KOKKOS_INLINE_FUNCTION
KOKKOS_INLINE_FUNCTION
void FixWallFlowKokkos<DeviceType>::generate_velocity_kk(int atom_i) const
{
const int newton_iteration_count = 10;
@ -170,7 +170,7 @@ void FixWallFlowKokkos<DeviceType>::generate_velocity_kk(int atom_i) const
}
template <class DeviceType>
KOKKOS_INLINE_FUNCTION
KOKKOS_INLINE_FUNCTION
int FixWallFlowKokkos<DeviceType>::compute_current_segment_kk(double pos) const
{
int result = 0;
@ -181,8 +181,8 @@ int FixWallFlowKokkos<DeviceType>::compute_current_segment_kk(double pos) const
}
template <class DeviceType>
void FixWallFlowKokkos<DeviceType>::grow_arrays(int nmax)
template <class DeviceType>
void FixWallFlowKokkos<DeviceType>::grow_arrays(int nmax)
{
k_current_segment.template sync<DeviceType>();
memoryKK->grow_kokkos(k_current_segment, current_segment, nmax, "WallFlowKK::current_segment");
@ -193,7 +193,7 @@ void FixWallFlowKokkos<DeviceType>::grow_arrays(int nmax)
}
template <class DeviceType>
void FixWallFlowKokkos<DeviceType>::copy_arrays(int i, int j, int)
void FixWallFlowKokkos<DeviceType>::copy_arrays(int i, int j, int)
{
k_current_segment.template sync<LMPHostType>();
h_current_segment(j) = h_current_segment(i);
@ -252,7 +252,7 @@ int FixWallFlowKokkos<DeviceType>::pack_exchange_kokkos(
d_sendlist = k_sendlist.view<DeviceType>();
d_copylist = k_copylist.view<DeviceType>();
d_buf = typename ArrayTypes<DeviceType>::t_xfloat_1d_um(
k_buf.template view<DeviceType>().data(),
k_buf.extent(0)*k_buf.extent(1));

6
src/KOKKOS/fix_wall_flow_kokkos.h
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@ -107,16 +107,16 @@ class FixWallFlowKokkos : public FixWallFlow, public KokkosBase {
KOKKOS_INLINE_FUNCTION
void generate_velocity_kk(int atom_i) const;
KOKKOS_INLINE_FUNCTION
KOKKOS_INLINE_FUNCTION
int compute_current_segment_kk(double pos) const;
KOKKOS_INLINE_FUNCTION
KOKKOS_INLINE_FUNCTION
double get_mass(MassTag, int atom_i) const
{
return d_mass(d_type(atom_i));
}
KOKKOS_INLINE_FUNCTION
KOKKOS_INLINE_FUNCTION
double get_mass(RMassTag, int atom_i) const
{
return d_rmass(atom_i);

4
src/fix_wall_flow.cpp
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@ -99,7 +99,7 @@ FixWallFlow::FixWallFlow(LAMMPS *lmp, int narg, char **arg) :
// parsing wall count
int wallcount = utils::inumeric(FLERR,arg[iarg],do_abort,lmp);
if(wallcount <= 0) error->all(FLERR,"Illegal fix wall/flow argument: wall count must be positive integer");
++iarg;
// parsing walls
if(narg - iarg != wallcount && narg - iarg != wallcount + 2) error->all(FLERR, "Wrong fix wall/flow wall count");
@ -173,7 +173,7 @@ FixWallFlow::~FixWallFlow()
int FixWallFlow::setmask()
{
int mask = 0;
mask |= END_OF_STEP;
return mask;