leonarski_fandClaude Opus 5
bb0648ae87
The battery is bound by reading images from disk, so instead of one battery run per setting each set now runs in all its variants in a row while its images are still in the page cache: open arm bare, then model (rugnux --model <deposited coordinates>) XDS arms bare, then xds (XDS's resolution range forced, -A where XDS was anomalous) bare (plain rugnux <input>) runs first on every arm, so its time always carries the set's disk read whichever variants are selected; each row records first_read and the report's timing table says which variant's times are cold. --variants runs a subset; --unforced is gone (--variants bare). Rows, work dirs (work/<arm>/<set>/<variant>/), compare and the report are per variant; compare pairs (arm, set, variant) on the variants both runs have on an arm, and a schema-1 run is read as one variant. The model variant takes the coordinates and published R-free from model_check's RCSB cache (site key pdb_cache) and records rugnux's R-free/R-work and the ratio; the REFMAC check is now opt-in (--model-check) and its keys moved to refmac_*. results_schema 2. model_sweep.py is retired: the model variant replaces it (its --spot/--scaling-low-resolution 50 were rugnux's defaults, so the command is the same). Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
14 lines
622 B
JSON
14 lines
622 B
JSON
{
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"_comment": "Copy to site.json beside battery.py (not committed), or anywhere and point JFJOCH_BATTERY_SITE at it. Paths are absolute; a relative manifest resolves against tools/battery/.",
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"runs_root": "/path/to/battery/runs",
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"lock_file": "/path/to/battery/full_run.lock",
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"gpulock": null,
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"baseline": null,
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"baseline_private": null,
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"pdb_cache": "/path/to/battery/pdb_cache",
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"arms": {
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"open": {"manifest": "open.json", "reference": "deposition", "data_root": "/path/to/battery/open"},
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"inhouse": {"manifest": "inhouse.json", "reference": "xds", "data_root": "/path/to/battery/inhouse"}
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}
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}
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