Perf: parallelize count_pw_st with OpenMP collapse(2)#7438
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What's changed?
source/source_basis/module_pw/pw_distributeg.cpp (
count_pw_st):parallel for collapse(2)to the(ix, iy)double loop for plane-wave stick enumerationreduction(+: npwtot_local, nstot_local)for accumulation of total plane-wave and stick countsreduction(min/max: ...)for boundary coordinate tracking (lix,rix,liy,riy)Performance impact (tested on Intel Core i7, GCC 13.3.0,
-O3 -fopenmp, grid=256×256×256, repeats=10):count_pw_stfunction, which is the hotspot in PW initialization for large grids.Near-linear scaling up to 4 threads (efficiency >95%)
8-thread efficiency drops to ~73% due to memory bandwidth saturation
12-thread marginal gain diminishes, consistent with SMT overhead on consumer-grade platforms
Behavior changes: None. The serial code path is preserved when
_OPENMPis undefined. All existingMODULE_PW_*unit tests (12/12) continue to pass.