leonarski_fandClaude Opus 5.5
0f461a65a2
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Combines mr-multigpu (per-card engine budgets, a transform copy on each other card, the rotation/translation functions split over the cards) with mr-transform-layout (the GPU transform optionally held corner-packed, same bits, 2.2x faster rotation function). Conflict (MolecularReplacement.cpp): the two new functions side by side (PackMolecularTransformGPU next to SplitRotationFunction/SplitTranslationFunction). On top of the textual resolution: - One layout decision for all cards, not one per card: the functions are split into equal slices, so a mix of packed and plain cards would run at the speed of the plain ones; either layout gives the same bits. - PackMolecularTransformGPU now plans with the other cards' budgets too and packs only where every card keeps what the plain plan gives it: this card's transform, engines and score engine, and on every other card its copy and its engine count. A packed copy is made after the card's engines are reserved; copy and engines within half of that card's budget leave room for the plain grid it is made from. - The copies on the other cards are made in the chosen layout, and the per-card plan (copies, engines, room) is made with the bytes actually placed. - Test: four 15.6 GB cards stay plain (packed, each other card would fall from T+2 to T+1); with 24 GB cards beside, packed. So on a 4x T4 4nwv runs split and plain, on one card packed; whether giving up 3 of 7 engines for the packed rotation function would pay there is left to a server measurement. Workstation (1x RTX 5080, --gpulock), against rc176: battery timing --benchmark standard (9zlo, 9s02, 9gjx, 4nwv) and --benchmark inhouse (myob, cytc, 4nwv) on GPU, inhouse also --no-gpu: p.hkl, p_model.pdb and the MR_ report block byte-identical on every set. 4nwv GPU: rotation 5.53 -> 2.50 s, MR step 20.1 -> 16.5 s (packed, 2.28 GB in place of 0.84 GB). Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01PXc1zD1yxHqaR1DGdCTHL4