Fix kpar auto-adjustment for PW basis - #7723
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AGENTS.mdanddocs/developers_guide/agent_governance.md.source/changes.Linked Issue
Fix #7722
Case Tests for my changes
Commands run:
Result summary:
Before fix:
After fix:
with warning, runs normally.
Additional context
Although I solve the kpar related problems,
007_PW_UPF201_USPP_Fe,063_PW_CRandscf_out_chg_taucases still have other issues.What's changed?
Fixed KPAR auto-adjustment that was broken due to reset_value callback ordering. Previously the check para.input.device == "gpu" in kpar's callback always evaluated to false because device's own callback (which resolves auto→gpu) runs later in the registration order. Removed the #if defined(__CUDA) guard and device == "gpu" check — the auto-adjust is now unconditional for PW basis.
Governance Notes