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Status overview show wrong number of SCF calculations for PDOS #1120

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superstar54 opened this issue Jan 30, 2025 · 3 comments
Open

Status overview show wrong number of SCF calculations for PDOS #1120

superstar54 opened this issue Jan 30, 2025 · 3 comments
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@superstar54
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Si + relax + bands + pdos

In Pdos, it should only have one SCF, but it show two:

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@superstar54 superstar54 added the bug Something isn't working label Jan 30, 2025
@mikibonacci
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Hi @superstar54 , I was about to open a similar issue: for me, it shows also the wrong number of optimize structure geometry (PwBaseWorkChain with calculation='vc-relax'):

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Pinging @edan-bainglass as we discussed this issue this morning

@edan-bainglass
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@mikibonacci send me an archive of your job. Note that @superstar54 did so and I was unable to reproduce. Though this is likely not the way to do it, as a simple page refresh on your end will also fix it.

I then tried to run a similar job and was still unable to reproduce it. It is unclear how this can happen, as adding a child node to a parent also adds it to a set of pks in the parent. Every new could is checked against this set, so unclear how some are sneaking through. Need to check for race conditions. Perhaps my old machine is too slow for it 🤷🏻‍♂️

@mikibonacci
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Hi @edan-bainglass, loading again the calculation (or refreshing the page) indeed fixed the issue, so it can be machine dependent

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