Open changwon123 opened 1 year ago
@changwon123 Welcome to the pyiron project. We are sorry to hear that pyiron was not able to update the status of your calculation. Can you provide us with a bit more details how you determined the calculation finished successful? Is the working directory compressed? If it is not compressed is there a error.out
file or and error.msg
file ? Can you load the job using job = pr.load(<your job_name>)
? When you load the job are job[‘output’]
and job[‘output/generic’]
available?
Summary
I conduct some DFT calculations via VASP on pyiron environment. I didn't use remote submit, I just accessed our HPC cluster and conducted DFT calculations. But pyiron cannot catch job status after job is submitted. Even though calculation is finished, pyiron cannot catch it and show job status as "submitted". So I cannot do any post-process works directly.
pyiron Version and Platform pyiron 0.4.7
Expected Behavior I expected pyrion catches job status as "finished", when DFT calculations are finished.
Actual Behavior pyiron always shows a job status as "submitted".
Steps to Reproduce
Further Information, Files, and Links
Thank you