ikalvet / heme_binder_diffusion

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Slurm partition as parameters #7

Open xmontagut opened 2 months ago

xmontagut commented 2 months ago

The slurm partition names, used for CPU or GPU jobs, should be customizable at the notebook level. This code is intended to change the "utils.create_slurm_submit_script" function to add a partition parameter. Also, the gpu parameter is meaningless, as the partition name + gres parameter shoulb be sufficient.

The notebook is then changed to take that into account. All SLURM related parameters are grouped in one cell.