leonarski_fandClaude Opus 5.5
e8409ef608
The rotation predictor used to download every predicted reflection into pinned memory, copy it into the host vector, build sort keys, std::sort them, gather the 88-byte structs into scratch and copy them back (OrderOutput), and - on a frame over output_limit - partial_sort the structs themselves (TruncateToOutput). On a large cell that is a quarter to a third of the image-loop worker CPU (profiles of 4nwv and 7qij: TruncateToOutput 12-16 %, OrderOutput 9-13 %, plus the memmoves). Now the same order is built on the device with stable cub radix sorts of an index: delta_phi, then the packed hkl (OrderOutput's h, k, l, delta_phi), then - over the cap only - partiality descending and excitation error ascending (TruncateToOutput, whose hkl tie-break the stable sort keeps). Only the kept rows are gathered and downloaded. Floats are keyed by an order-preserving integer map with -0 made +0, so the key order is the comparators' order; the only possible difference from the host is between two solutions of the SAME hkl with bit-identical partiality and excitation error, whose relative order partial_sort leaves to its heap and the stable sort to delta_phi. The device buffers grow with half again of slack, so a frame predicting a few more than the last record (the supercell probe's frames above all) no longer reallocates and predicts again; the host side is sized for what is returned, at most output_limit. Test: BraggPredictionRotGPU_DeviceOrderMatchesHost holds the device output against OrderOutput's order and against TruncateToOutput applied on the host, at four caps. Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EizBKhTqrAYago9KJG3dA3
Jungfraujoch
Application to receive and analyse data from the PSI JUNGFRAU and EIGER detectors, together with
rugnux, its program for processing stored diffraction data - rotation and serial, macromolecular
and small-molecule - from images to merged reflections.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.