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    Optimize HIP pair-list handling for CDNA LJPME · 939ecf28
    one authored
    - Use bitwise prefix accounting when storing sparse interactions as single pairs in the HIP pair-list kernel. This reduces the number of ballot operations needed to compute per-lane single-pair offsets.
    - For HIP CDNA single precision, raise MAX_BITS_FOR_PAIRS to 8 so more sparse interactions are emitted as single pairs instead of full tiles. Keep the existing double precision and RDNA thresholds unchanged.
    - Also simplify the HIP LJPME direct correction by computing alpha^2*r2
    939ecf28
findInteractingBlocks.hip 30.1 KB