Benjamin Pritchard

Just ran into this. For me, this only happens with the version installed via `pip`. The package on PyPI seems to be missing the ini files They are included in...

I think `programs.py` should be `base.py` inside the programs folder. You should modify that file with your changes

There are a couple places to do caching, and we might want several: 1. In the client itself. This is for various functions like `get_records`, `get_singlepoints`, etc. 2. Caching in...

I have some very preliminary code with basic functionality if you would like to try it. It's in the `qcportal_caching` branch: https://github.com/MolSSI/QCFractal/tree/qcportal_caching branch Basically: * Pass in a directory to...

The big PR is up for testing #802 . Give it a shot and let me know what you think/how it works

Yes. Also, torsiondrive is not 3.12 compatible: https://github.com/lpwgroup/torsiondrive/pull/78

For the first question: If the `error` field is set, but the status isn't `error`, then it was reset at some point to be allowed to run again. This could...

It depends on how many jobs you are running in parallel. Could you post the executors from the configuration? The manager will pull down more tasks than it can compute,...

``` #! /usr/bin/bash #SBATCH --job-name=qcfractal #SBATCH --partition=normal #SBATCH -t 2-00:00:00 #SBATCH --nodes=1 #SBATCH --ntasks=32 #SBATCH --cpus-per-task=1 #SBATCH --mem-per-cpu=7gb ``` I'm not positive (I'm not a slurm expert), but I believe...

I will try running the `18909693` calculation locally. I do see that task 18909312/record 119038388 has now completed, though.