1 research outputs found
Quantized bounding volume hierarchies for neighbor search in molecular simulations on graphics processing units
We present an algorithm for neighbor search in molecular simulations on
graphics processing units (GPUs) based on bounding volume hierarchies (BVHs).
The BVH is compressed into a low-precision, quantized representation to
increase the BVH traversal speed compared to a previous implementation. We find
that neighbor search using the quantized BVH is roughly two to four times
faster than current state-of-the-art methods using uniform grids (cell lists)
for a suite of benchmarks for common molecular simulation models. Based on the
benchmark results, we recommend using the BVH instead of a single cell list for
neighbor list generation in molecular simulations on GPUs.Comment: 28 pages, 8 figure