switch on the -pd option for pw code
#1025
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Additional details and impacted files@@ Coverage Diff @@
## main #1025 +/- ##
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Coverage 68.86% 68.87%
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Files 115 115
Lines 6415 6474 +59
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+ Hits 4418 4459 +41
- Misses 1997 2015 +18
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| @@ -33,12 +34,18 @@ def update_resources(builder, codes): | |||
| if "bands" in builder: | |||
| set_component_resources(builder.bands.scf.pw, codes.get("pw")) | |||
| set_component_resources(builder.bands.bands.pw, codes.get("pw")) | |||
| builder.bands.scf.pw.settings = orm.Dict({"CMDLINE": ["-pd", ".true."]}) | |||
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should it be worth it to create a function in utils like use pencil_decomposition ? like that the code is not repeated , but also is easy to read in the future
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Good point, I will add a function.
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perhaps also this should be control in the PwCode model ? so the user can set and unset this ?
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There are two ways to handle this:
- as you suggested, add a setting in the GUI so that the
advanceduser can control it. - in the WorkChain, it handles the setting automatically or adds an error_handler to restart with a different number of CPUs.
I suggest discussing which way we want to implement in the future PR.
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yeah , i think we can leave it here, but in another PR we just leave the freedom plus the explanation to the user
superstar54
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LGTM!, thank you @superstar54 , I would suggest you open an issue, for implementing this in the resource panel in such a way the users can activate or deactivate this. Plus adding explanation to the users about resources and the computers they are using
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Thanks @AndresOrtegaGuerrero , I opened an issue: #1031 |
fix #1021
Enable pencil decomposition for all
pw.xcalculations.Note, I still get issue on
projwfc,