Closed lfzhu-phys closed 4 months ago
Ah, yes, this is a known problem and also fixed already in the latest version of pyiron_potentialfit, here, but haven't gotten to updating everything yet, sorry for that. I'll update you here once this is published on conda and updated on the cluster.
Also, the mlip jobs where moved from contrib to pyiron_potentialfit, so you'll have to update your older jobs as detailed here.
@pmrv Thanks a lot. Will look into the details and updated the jobs:)
@lfzhu-phys The pyiron/latest kernel is updated on the cluster now. You will have to rerun the failed calculations, though. :|
Great, just did a test run, it works now. Thanks a lot.
The jobs crashed at the last stage when collecting the data. When running the jobs in old kernel, this issue is not there. Thanks in advance for looking into it.
The error.out is like following: