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Fixup LinkedCellList neighbor interface #793

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merged 2 commits into from
Oct 21, 2024
Merged

Fixup LinkedCellList neighbor interface #793

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f7384bc
fixup: use getParticle in LinkedCell Neighbor
streeve May 17, 2024
e00db62
fixup: partial range total/max linked cell neighbors
streeve May 17, 2024
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28 changes: 16 additions & 12 deletions core/src/Cabana_LinkedCellList.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -761,18 +761,29 @@ class NeighborList<LinkedCellList<MemorySpace, Scalar>>
//! Neighbor list type.
using list_type = LinkedCellList<MemorySpace, Scalar>;

//! Get the maximum number of neighbors per particle.
//! Get the total number of neighbors across all particles.
KOKKOS_INLINE_FUNCTION static std::size_t
totalNeighbor( const list_type& list )
{
return Impl::totalNeighbor( list, list.numParticles() );
std::size_t total_n = 0;
// Sum neighbors across all particles in range.
for ( std::size_t p = list.getParticleBegin();
p < list.getParticleEnd(); p++ )
total_n += numNeighbor( list, p );
return total_n;
}

//! Get the maximum number of neighbors across all particles.
//! Get the maximum number of neighbors per particles.
KOKKOS_INLINE_FUNCTION
static std::size_t maxNeighbor( const list_type& list )
{
return Impl::maxNeighbor( list, list.numParticles() );
std::size_t max_n = 0;
// Max neighbors across all particles in range.
for ( std::size_t p = list.getParticleBegin();
p < list.getParticleEnd(); p++ )
if ( numNeighbor( list, p ) > max_n )
max_n = numNeighbor( list, p );
return max_n;
}

//! Get the number of neighbors for a given particle index.
Expand Down Expand Up @@ -817,14 +828,7 @@ class NeighborList<LinkedCellList<MemorySpace, Scalar>>
{
int particle_id = list.binOffset( i, j, k ) +
( neighbor_index - previous_count );
if ( list.sorted() )
{
return particle_id + list.getParticleBegin();
}
else
{
return list.permutation( particle_id );
}
return list.getParticle( particle_id );
}
previous_count = total_count;
}
Expand Down
26 changes: 10 additions & 16 deletions core/src/Cabana_Parallel.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -1283,18 +1283,15 @@ struct LinkedCellParallelReduce
// neighbors.
auto offset = _list.binOffset( gi, gj, gk );
auto size = _list.binSize( gi, gj, gk );
for ( std::size_t j = offset; j < offset + size; ++j )
for ( std::size_t n = offset; n < offset + size; ++n )
{
// Get the true id of the candidate neighbor.
std::size_t jj;
if ( !_list.sorted() )
jj = _list.permutation( j );
else
jj = j + _begin;
auto j = _list.getParticle( n );

// Avoid self interactions (dummy position args).
if ( _discriminator.isValid( i, 0, 0, 0, jj, 0, 0, 0 ) )
if ( _discriminator.isValid( i, 0, 0, 0, j, 0, 0, 0 ) )
{
Impl::functorTagDispatch<WorkTag>( _functor, i, jj,
Impl::functorTagDispatch<WorkTag>( _functor, i, j,
ival );
}
}
Expand Down Expand Up @@ -1322,20 +1319,17 @@ struct LinkedCellParallelReduce
auto size = _list.binSize( gi, gj, gk );
Kokkos::parallel_for(
Kokkos::TeamThreadRange( team, offset, offset + size ),
[&]( const index_type j )
[&]( const index_type n )
{
// Get the true id of the candidate neighbor.
std::size_t jj;
if ( !_list.sorted() )
jj = _list.permutation( j );
else
jj = j + _begin;
auto j = _list.getParticle( n );

// Avoid self interactions (dummy position args).
if ( _discriminator.isValid( i, 0, 0, 0, jj, 0, 0,
if ( _discriminator.isValid( i, 0, 0, 0, j, 0, 0,
0 ) )
{
Impl::functorTagDispatch<WorkTag>( _functor, i,
jj, ival );
j, ival );
}
} );
}
Expand Down
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