pyiron / pyiron_base

Core components of the pyiron integrated development environment (IDE) for computational materials science
https://pyiron-base.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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File transfer from remote #919

Open Vaibhav51093 opened 2 years ago

Vaibhav51093 commented 2 years ago

I am using Pyiron for Lammps calculations and I am facing the following problem while job file transfer from the remote.

pyiron

Later, I figured out that the job is still running, but all the files are transferred to local. In local, I found the following incomplete Lammps log file.

image

I am using the following command to transfer and monitor the status.

  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
    else:
      break 
  job_nvt.status.collect=True
  job_nvt.transfer_from_remote()
  job_nvt.compress() 
jan-janssen commented 2 years ago

@Leimeroth Can you help here? I thought we had this fixed that transfer_from_remote() is never called directly by the user.

Leimeroth commented 2 years ago

Right now it is necessary to either downgrade versions or directly use transfer_from_remote() due to #pyiron_base702

I am really confused what this for loop is actually doing though. It is enought to run pr.update_from_remote() and then transfer jobs with status collect and initialized manually

Leimeroth commented 2 years ago

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 pointless list until the job is done

Vaibhav51093 commented 2 years ago

Okay, I realize the loop is unnecessary, but my goal here is to automatically transmit the files as the jobs are completed.