Niklas Leimeroth

Advanced jobs still fail. When I try to run a Murnaghan job for example: ``` ref= pr.create.job.Vasp("Ref") ref.structure = pr.create.structure.bulk("Cu", cubic=True) ref.server.cores = 12 murn = pr.create.job.Murnaghan("MurnTest", delete_aborted_job=True) murn.ref_job =...

Collecting (parsing the output) currently does not work with the remote setup. As a workaround you can copy the output of jobs back and collect them locally using pr.update_from_remote(try_collecting=True) Regard...

It should look something like this ``` ref = pr.create_job("Vasp", "Ref") ref.structure = structure ref.server.cores = 24 ref.server.queue = "normal_N1" job = ref.create_job("ElasticTensor", "ElasticTensor") job.run() ```

> I assumed at the time that this is what caused my problems, as I did not know that I had to collect the jobs locally on the workstation by...

For the energy it should not matter, but can you retrieve correct forces for the old positions from this?

> Maybe we could add a flag to the lammps interactive mode which automatically applies this transformation, as I have the feeling this issue comes up from time to time...

Right now it is necessary to either downgrade versions or directly use transfer_from_remote() due to #[pyiron_base702](https://github.com/pyiron/pyiron_base/pull/702) I am really confused what this for loop is actually doing though. It is...

Actually this part ``` count = [0] for x in count: count.append(x+1) pr.get_jobs_status(recursive=True) if pr.queue_check_job_is_waiting_or_running(job_nvt) == True: continue ``` looks like it will just fill up ram with a completely...

I will test if they are faster. If they are I would add them as defaults and as values in queue.yaml