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Adding pencil decomposition for dos.x by default (#1125)
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This because we risk to have too many processors and few plane waves.
The problem is also present for projwfc.x, but there is not -pd option.
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mikibonacci authored Jan 31, 2025
1 parent 213623c commit 0fb24e7
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1 change: 1 addition & 0 deletions src/aiidalab_qe/plugins/pdos/workchain.py
Original file line number Diff line number Diff line change
Expand Up @@ -42,6 +42,7 @@ def update_resources(builder, codes):
set_component_resources(builder.projwfc, codes.get("projwfc"))
enable_pencil_decomposition(builder.scf.pw)
enable_pencil_decomposition(builder.nscf.pw)
enable_pencil_decomposition(builder.dos)

# disable the parallelization setting for projwfc
# npool = codes["pw"]["parallelization"]["npool"]
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