vasp | New ASE compliant Python interface to VASP | Dataset library

We updated the queuing system interface in pyiron 0.3.X you can read more about this here: https://pyiron.org/news/releases/2020/09/06/pyiron-0-3-X-HPC-release.html

For pyiron 0.3.X we have a detailed installation guide available on readthedocs.org: https://pyiron.readthedocs.io/en/latest/source/installation.html#remote-hpc-cluster

So I highly recommend updating to pyiron 0.3.13.

Apart from this the error message basically says that the submission was not successful. If you navigate to the jobs working directory job.working_directory you should find a run_queue.sh script in the working directory. This is the script pyiron is using to submit the job to the queuing system. You can try to submit it manually using sbatch run_queue.sh this should print the queue id if successful and otherwise the error message from your queuing system.

Text in a script is interpreted as if it's commands, not as keyboard input. So, it will require automating the input somehow. One simple way is using a here-string:

Don't call awk multiple times just write to multiple output files for each line inside awk, like this:

You may use this awk:

Because you are using FirebaseRecyclerAdapter, you can override the onDataChanged() method in your adapter class. So create a new object of ProgressBar and start showing it in the onCreate() method, or if you want, you can add it directly in your .XML file. Finally in your adapter class, use the following lines of code:

You need to do 2 major changes in your code. 1st change =~(it is used in shell and awk is not shell) to ~/string/ then I am considering that gaussion is a text you want to print in output so wrap it too in "gaussion" same applies to other texts too.

Try following once.

Quote your heredoc sigil to prevent expansions from taking place inside the contents: