fix output#7317
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dzzz2001
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May 7, 2026
dzzz2001
reviewed
May 7, 2026
dzzz2001
reviewed
May 7, 2026
dzzz2001
reviewed
May 7, 2026
dzzz2001
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May 15, 2026
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Summary
Cleans up several runtime log messages and fixes a latent bug in the GPU memory tracker.
Changes
Bug fix
Memory::printGPU path: previouslyrecord_gpucalledprint(find), but the body ofprint(int)indexed the CPU arrays (name[find],consume[find]). GPU memory warnings therefore printed the wrong name/size. Refactoredprintto take(name, size_mb)so the caller passes the correct array, fixing CPU and GPU paths uniformly.Behavioral change
Output polish
*** Memory Allocation Warning ***.SET NONLOCAL PSEUDOPOTENTIAL PROJECTORSnow appends the element label, so the line is meaningful in multi-element runs.START CHARGEvalue (init_chg) is now uppercased for consistency with surrounding output.nspin == 2, the printed k-point count now shows the physical number (nkstot / 2) instead of the spin-duplicated total stored internally.nspin == 1andnspin == 4are unaffected, matching howset_kup_and_kdwpopulatesnkstot.read_cell_pseudopotsfor readability.CalAtomsInfoto useModuleBase::GlobalFunc::OUTso its formatting matches neighboring entries.