Is there any way to run singleshot on a specific task?

Atomate
1

I have a number of tasks in my launchpad that will take some time to run. I have since added a single task that is of high priority to me and I would like to run that single job before the rest run. Is it possible to launch a single job with “qlaunch singleshot” on a specific job? If so, I cannot find the instructions for doing this. If not, this would be a convenient feature.

2

This can be done by specifying rlaunch singleshot -f my_fw_id inside of your qadapter yaml file. When you run qlaunch, it will call this rlaunch command when SLURM allows it through the queue, and it will pull a specific FW in reservation mode.

3

Note that you can also explicitly set the priority for jobs:

https://materialsproject.github.io/fireworks/priority_tutorial.html

This is the best way in my opinion - i.e., just set the priority of your job really high.

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