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As I was going through the types for the persistence code, it struck me that this is the sort of thing that it might be worth serializing to a database. Specifically, SQLite has the right sort of data…
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Hi,
I'm trying to run Herro in a simple nextflow pipeline. The pipeline completes without errors, but herro infererence has actually not discovered any reads
`[00:00:37] Processed 0 reads.`
E…
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### Checklist
- [X] I added a descriptive title
- [X] I searched open requests and couldn't find a duplicate
### What is the idea?
Conda is pretty heavy on shared HPC file systems. I thought, reduc…
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A lot of applications require using a linear system solve (using cupy) to create the initial quantum state. On systems like NERSC, it's hard to install anything new in the container as you are creat…
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We have netcdf-4 logging and it has a lot of useful information. Here at NOAA it's being used to debug problems on big HPC systems.
One set if information that would be super useful would be some t…
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A place to write down all the bugs that need to be fixed, the features that need to be added and refactoring ideas.
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It should be possible to convert docker containers into runnable containers in the Snellius supercomputer. This would help run Weaviate there. See snellius docs: https://servicedesk.surf.nl/wiki/pages…
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We should test out [Dask Gateway](https://gateway.dask.org) on SLURM systems. It has supports for [HPC systems running SLURM](https://gateway.dask.org/install-jobqueue.html) and it can potentially all…
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On NOAA-Cloud CSPs, CentOS will no longer available after 1/1/25.
Rocky8 will be used. Therefore, please install spack-stack with Rocky8 on CSPs.
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I had this bit written up for the docs on the EESSI test suite, but neither of these options doesn't seem to work as intended with our GROMACS/TensorFlow tests:
``````markdown
#### Filtering by de…