-
I've encountered an issue where sometimes a calculation will show as finished in aiida, but the actual calculation on remote computer is still running. Aiida will retrieve the files and run parser wit…
-
Originally reported by: **Nicolas Mounet (Bitbucket: [mounet](https://bitbucket.org/mounet), GitHub: [nmounet](https://github.com/nmounet))**
----------------------------------------
dereference…
-
To avoid the current bash escaping that adds single quotes around every command and argument, I added a bit of hacky `sed` logic:
https://github.com/aiidateam/aiida-hyperqueue/blob/3f38f178badf7c1c…
-
When the HQ server is shut down, it seems that all of the HQ jobs are lost. This can be problematic in case there are still HQ jobs that are "waiting" or "running', since our AiiDA plugin will try to …
-
When retrieving CalcJobs from a SLURM cluster, AiiDA uses the `squeue` output to determine when to retrieve a calculation, and then does a final call to `sacct` to get more detailed job information fr…
-
Hi, we read your excellent work published on preprint paper. It is of great meaning in futher research that uses COF as water photocatalysis. Would you please provide the usage details of this code? …
-
Hi Gianluca,
Very impressed by your work, and congratulations on finishing your PhD!
As the title indicates, I was curious if you had any plans to update your code to the new versions of AIIDA …
-
**Is your feature request related to a problem? Please describe.**
Currently, the App allows users to set only the number of nodes and CPUs for a particular workflow. For the SLURM scheduler (and may…
-
Following the discussion in #565, if a code does not _modify_ the input files it gets from the parent files, a symlink can be used instead of copying the files.
I did some preliminary testing on `p…
-
Grafana is very popular and it would be great if we could support it. They have the generic JSON plugin, which I think might be the way to go:
https://grafana.com/grafana/plugins/simpod-json-datasour…