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Filip LeonarskiandClaude Opus 5.5 ba3f754752
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RESULT-CHANGING (owner approved, ulp level): CPU profile fit in the GPU engine's arithmetic
Pass B of BraggIntegrationEngineCPU now does what BraggIntegrationEngineGPU's fit does: profiles in
float, the Gaussian from expf with the widths' reciprocals taken once and normalised by a reciprocal,
and the reweighted fit in float with one reciprocal of the variance for its three sums (the GPU's
__frcp_rn). Per-reflection geometry and the final sigma stay in double. The logic was already the
same on both; the CPU now differs from the GPU only in summation order.

Measured (CPU-only, Apple M6): Pass B loops 1.2x faster on P cores; cytochrome C 1.9%, myoglobin 1.5%
faster end to end, 4nwv integration steps 3%. Intensities move by ~1e-6 relative; merged statistics
in the fourth digit (error model b 1.3259e-3 -> 1.3258e-3, R_work 0.2440 -> 0.2439).

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
2026-10-14 19:42:31 +02:00
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