Failed vasp job kills faps

tdaff / automation

BSD 3-Clause "New" or "Revised" License

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Closed tdaff closed 9 years ago

tdaff commented 13 years ago

Original report by Tom Daff (Bitbucket: tdaff, GitHub: tdaff).

If the vasp job fails the calculation halts. The script should detect and work around problems, eg,

#!text

ZBRENT: fatal error in bracketing
     please rerun with smaller EDIFF, or copy CONTCAR
     to POSCAR and continue

tdaff commented 9 years ago

Original comment by Tom Daff (Bitbucket: tdaff, GitHub: tdaff).

Next version need more rugged ob monitoring altogether