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configure.py tells that the computer already exists at the first time #15

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mpougin opened this issue Oct 21, 2020 · 4 comments
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@mpougin
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mpougin commented Oct 21, 2020

When running .configure.py for configuring helvetios or fidis-serial, the code complains that the computer already exists, but it is the first time I'm running it.

Setting up helvetios
helvetios user name: pougin
Path to SSH key [/home/miriam/.ssh/id_rsa]: 
Critical: A computer called helvetios already exists. Use "verdi computer duplicate helvetios" to set up a new computer starting from the settings of helvetios.

Configuring helvetios
Sucess
Setting up /home/miriam/aiida1/aiida-lsmo-codes/setup/helvetios/[email protected]
Sucess
Setting up /home/miriam/aiida1/aiida-lsmo-codes/setup/helvetios/[email protected]
Sucess

@danieleongari

@mpougin
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mpougin commented Oct 29, 2020

I experienced the same issue again after importing data from @danieleongari . When running the nanoporous screening workchain it complains that the codes can't be uniquely resolved:

aiida.common.exceptions.MultipleObjectsError: There are multiple codes with label 'cp2k-5.1', having IDs: 11557, 5689. aiida.common.exceptions.MultipleObjectsError: cp2k-5.1@helvetios could not be uniquely resolved

However, the multiple codes don't show up in the code list.

@danieleongari
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danieleongari commented Oct 29, 2020

Ok, now I see: basically you are importing the codes duplicates from my database.
They don't show up because you should use something like -A to display codes from other users.
I didn't incurred into it because I never imported my databases in other profiles used for production.

@ltalirz this is an annoying issue when sharing data with other users: should AiiDA by default forget about Codes by other users if label-duplicates exists? Or maybe AiiDA already does that, and just our configure script needs to have a better query.

@mpougin
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mpougin commented Oct 29, 2020

Exactly. As quick solution I just relabeled the imported codes

@ltalirz
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ltalirz commented Oct 29, 2020

One solution would be if imported codes would be relabeled, if a code of the same name already exists (like computers are).
I've now mentioned this here aiidateam/aiida-core#3303

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