VASP command with more than 1 line

[JaGeo]

It's currently not possible to use a VASP (or Lobster) command including more than 1 line (e.g., to change the number of threads within one job script).

I did not find a solution that is easy to implement yet and wanted to ask if there is an interest in such a feature and/or if someone has ideas on how to implement it.

Can anyone think of a command that could easily replace this one here?

custodian/custodian/vasp/jobs.py

Line 878 in 202b941

return subprocess.Popen(cmd, stdout=f_std, stderr=f_err, start_new_session=True) # pylint: disable=R1732

[janosh]

What's the issue with a multiline VASP command?

[JaGeo]

It's not working to provide a command longer than 1 line with popen.

[janosh]

What if we refactor cmd to be list instead of str?

[JaGeo]

Would this work in combination with a typical configuration file?

[janosh]

Sorry, didn't read carefully. Actually cmd is already a list

custodian/custodian/vasp/jobs.py

Line 863 in 202b941

cmd = list(self.vasp_cmd)