-
Notifications
You must be signed in to change notification settings - Fork 108
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
VASP handler needed for ERROR: there must be 1 or 3 items on line 2 of POSCAR
#291
Comments
ERROR: there must be 1 or 3 items on line 2 of POSCAR
ERROR: there must be 1 or 3 items on line 2 of POSCAR
One way to sort this out easily is to convert all input files to Unix line endings before the start of a job. It is just a call to if os.name == "posix":
os.system("dos2unix *") I would imagine this has negligible CPU cost. |
Good suggestion. My only concern with this is that not all machines may have this utility (Wikipedia says it's not part of the Unix standard, although I imagine most machines do have it. Of course, this is easy to get around: simply catch an exception and move on. Edit: And it should not be |
Email (Optional)
No response
Version
2023.7.22
Which OS(es) are you using?
What happened?
There is a (new?) VASP error shown below. It occurs when you make a POSCAR file with Windows line-endings. Changing the encoding fixes the POSCAR every time. This isn't really a high-priority thing since it will only ever happen if the user is making input files manually, in which case they probably aren't using Custodian.
Code snippet
No response
Log output
No response
Code of Conduct
The text was updated successfully, but these errors were encountered: