leonarski_fandClaude Opus 5
e5442e7a07
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Three unrelated costs in the tail, each measured before and after. The cell surface fits and scores by reaching into the fulls for sixteen bytes of an eighty-byte record, twenty-two times over. That is four times the traffic of the data it uses, and it was the whole of the cost: the arithmetic never was. One fused compaction of the intensity, sigma, correction, cell term and group, built in the passes that were already being made, and every later pass walks the compact array instead. Fit accumulation falls to a third, scoring to a third. What is left is the term build and the scatter, not the fit. The estimator is untouched. The space-group search hashed a reflection key per observation per candidate. The orbit representative is now interned to a dense index when the orbits are built, so the two tests that follow index an array. Both candidate loops also run a thread per candidate - the point-group loop, and the space-group loop, which was the larger of the two by far: a full pass over the merge with three absence tests and a map insert per reflection, once for every candidate group. The operator cache is filled by the serial pass that precedes them, so each candidate still sees the same operators, does its own arithmetic unchanged, and appends in the same order. The search runs in a third of the time. Writing the reflections was seventeen stream insertions per row for a quarter of a million rows. The rows are formatted in parallel blocks and written in order, in the same widths and precisions as before: the mmCIF in a tenth of the time, the hkl in a quarter. Faster on twelve of twelve matched pairs, eight per cent on the sum of minima, and region timers account for the wall clock to within five per cent. Every reflection file over the whole rotation test set is byte-identical, in both passes and all three formats. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_016NNnL26LAvruQ9eLUUWvrJ