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- [x] [AiiDA Troubleshooting Documentation](https://aiida.readthedocs.io/projects/aiida-core/en/latest/intro/troubleshooting.html)
- [x] [AiiDA Users Forum](https://groups.google.com/forum/#!foru…
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This is a list of some lessons and issues we've found during development of an AiiDAlab App for a MarketPlace use case. "We" being mainly @daniel-sintef and partly myself.
#### Setup Computers and …
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Currently, we provide information on the magnetic structure as input parameters for the calculation (#854), such as the initial magnetic moment. However, for a more complex magnetic structure, you mig…
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In the current lsf scheduler plugin the jobid gets appended to the bjobs command (for what ever reason).
This has a big draw back:
If a job 'disappears' from the bjobs list, which they often do, b…
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For many codes it makes sense to have some kind of data structure that is a bit more general than `StructureData`. Say to house selective dynamics flags etc. We should possibly discuss this and try to…
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### Describe the current issue
After https://github.com/aiidateam/aiida-core/pull/4990 merged, the `withmpi` options of every code is default set to the value read from the metadata option of `Ca…
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So far, whether we are running the native Quantum ESPRESSO or SIRIUS integrated version didn't matter for the `aiida-quantumespresso` plugin, since both input and output files were the same. However, …
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I have been using this AiiDA plugin for a while as it's basically a necessity for the amount of similar calculations I run, to that end because I need the atomic forces of the calculation output and r…
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- [x] [AiiDA Troubleshooting Documentation](https://aiida.readthedocs.io/projects/aiida-core/en/latest/intro/troubleshooting.html)
- [x] [AiiDA Users Forum](https://groups.google.com/forum/#!foru…
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For some commands it isn't obvious from their name whether they take arguments or not (which is fine).
However, if you get it wrong, verdi currently lets you complete filling in all the options befor…