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Number of ambiguities #470

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khsrali opened this issue Feb 21, 2024 · 0 comments
Open

Number of ambiguities #470

khsrali opened this issue Feb 21, 2024 · 0 comments

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@khsrali
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khsrali commented Feb 21, 2024

Running external codes

  • for those who are using Quantum Mobile pw.x is actually located here:
    /usr/local/bin/pw.x
    While in the documentation, it is written:
    verdi code setup --label pw --computer localhost --remote-abs-path /opt/conda/bin/pw.x --input-plugin quantumespresso.pw --non-interactive
    As a side note, maybe it is worth mentioning that while setting up a code, 'remote-abs-path' is a generic namespace, so that's why local codes also should be set up the same way.

  • the part in tutorial that is showing verdi process list -a
    it's useful information to mention, that the exit code is shown inside [] -- so while running tutorial, one easily sees if something is wrong

  • for those who are running tutorials on Quantum Mobile, maybe it's also useful to mention how to create, change, & delete profiles. So if things get messed up, one can still clean everything up and start from the beginning.

  • typo:
    instalation: "The code node (3) is a data node that contains the instructions for AiiDA to execute a specific instalation of .."
    particullarly: "We will now show you how to do it using a builder, which is a tool that is particullarly convenient when .."

Organizing your data

  • when copy all nodes from an existing group to another group using verdi group copy,
    is that a literal copy (in database) or is it more like tagging? this information maybe good to know when it comes to handeling large data files.

Querying for data

  • Isn’t that ‘>’ sign reversed? It says "no longer than 12 days ago"
    {'ctime': {'>': datetime.now() - timedelta(days=12)}}
    A bit counter intuitive since that is bigger, not smaller

  • graph = Graph(graph_attr={"rankdir": "LR"}) this appears a few times, one may ask is "LR"

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