Samuel Tovey

Hey @EmersonDove, thank you for your detailed response. I haven't had much time outside of work but I hope to have some more time soon. It seems I have misunderstood...

So I went back over all the tests and I see now how to set initial values of the EUR and AUD values. I ran a quick test to try...

Sorry for the delay in reply but this is perfect! I will make the figures when I am back and can post the results here if you're interested. Thanks a...

Beyond just ML potentials, having access to ASE calculators would allow people to use espresso for all kinds of different potentials including ab-initio methods.

As discussed internally, we will move forward with the ML package from the Csanyi group, MACE: https://github.com/ACEsuit/mace This comment can be elaborated upon after our meetings with the group in...

My best solution at the moment to force this to do what I want it to is to have a function like the following: ```python def deploy_jobs(index): cluster = SLURMCluster(...

Hi @guillaumeeb, thanks for the answer. I have enough resources and permissions to access the nodes. Usually run ~30 jobs at a time with GPUs but deploying from a bash...

The configuration you put up earlier did not really work for me. Admittedly the jobs stopped dying. However, it didn't take any net work training tasks.

With my current study, I ask for 20 workers in the adapt command. It will start 20 but at the moment only 5 of them will pick up jobs. The...