The kernel guards against 2*max_hkl+1 and maps thread i to h = i - max_hkl, but
the host launched a grid sized 2*max_hkl. The h = k = l = +max_hkl planes were
therefore never launched while -max_hkl was, so the GPU predicted an asymmetric
subset of what the CPU loop (inclusive on both ends) does. The same bug was fixed
on the stills twin when the whole hkl range moved to the GPU; the rotation
predictor kept the old expression.
It only bites where the cell actually reaches |h| = 100 inside d_min - a ~150 A
axis at 1.5 A - so most data never noticed. Over the 33-crystal rotation battery
29 crystals are bit-identical and 4 gain observations, all of them large-cell or
high-resolution: +8519, +4693, +901 and +758 observations, with the high-shell
CC1/2 up 15.0->15.1%, 52.0->52.2%, 76.3->76.6% and 51.6->52.1%. Nothing is lost
anywhere, and R-meas and ISa move by at most 0.01.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
leonarski_fandClaude Opus 5
196c72a7fe