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Add SLURM interface #96
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This commit adds the functionality to create a job file and run sbatch. It includes the implementation of the `CreateJobHeader`, `CreateJobBody`, `PrepareJobFile`, and `Sbatch` functions. Tests for these functions have also been added.
This commit adds support for submitting jobs using Slurm. It checks if there is a `job.sh` file in the run directory and if so, it uses `sbatch` to submit the job. Otherwise, it continues to use the existing command to run the job. Additionally, a new method `PrepareJobFile` is added to create the `job.sh` file.
This commit adds a new function called FindNewestLogFile to the utils.go file. This function finds the newest log file in a given directory by comparing the modification times of all the files in the directory. It also includes a corresponding unit test in the utils_test.go file to verify the functionality of the new function.
This PR adds a way for the
haddock-runner
to submit jobs to SLURM. It does so by adding a new parameter to thegeneral
section of the configuration fileIt makes sure that all scenarios are using
local
mode:Adds a new
SUBMITTED
status and some utilitary functions.TODO:
CreateJobHeader
functionBonus: I've updated Trunk and added a dev-container with a pre-configured SLURM and HADDOCK3 installations for easier development, the only caveat is that the cns binary must be in
.devcontainer/cns
before building it.