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Reduce VerletList allocations #813

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Reduce VerletList allocations #813

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350a041
Use max radius between particle pairs to guarantee symmetry;
streeve Feb 28, 2025
d12fdbd
Add neighbor j if radius too small to find i
streeve Mar 6, 2025
6dc6caf
Store LCL in VerletList and rebuild
streeve Mar 8, 2025
4b6e741
fixup: use standard or
streeve Mar 8, 2025
5bfb694
Reduce View allocations in VerletList
streeve Mar 8, 2025
5e6fba8
fixup: rebuild instead of reconstruct for Verlet benchmark
streeve Mar 8, 2025
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12 changes: 8 additions & 4 deletions benchmark/core/Cabana_NeighborVerletPerformance.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -135,15 +135,19 @@ void performanceTest( std::ostream& stream, const std::string& test_prefix,
};
Kokkos::RangePolicy<exec_space> policy( 0, num_p );

double cutoff = cutoff_ratios[c0];
double ratio = cell_ratios[c1];
auto x = Cabana::slice<0>( aosoas[p], "position" );
neigh_type nlist( x, 0, num_p, cutoff, ratio, grid_min,
grid_max );

// Run tests and time the ensemble
for ( int t = 0; t < num_run; ++t )
{
// Create the neighbor list.
double cutoff = cutoff_ratios[c0];
create_timer.start( pid );
neigh_type nlist( Cabana::slice<0>( aosoas[p], "position" ),
0, num_p, cutoff, cell_ratios[c1],
grid_min, grid_max );
nlist.build( x, 0, num_p, cutoff, ratio, grid_min,
grid_max );
create_timer.stop( pid );

// Iterate through the neighbor list.
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