Open ezpzbz opened 3 years ago
In the below section of VaspMultiStageWorkChain (https://github.com/morgan-group-bath/aiida-bjm/blob/9335c95034d7569ba83b7bfd648f171124e298ac/aiida_bjm/workchains/vasp_multistage.py#L523-L532), if we face an issue and change the ALGO to All, then if the same issue happens, none of if elif conditions will meet, and therfore, the process gets excepted with:
VaspMultiStageWorkChain
ALGO
All
if elif
algo = self.ctx.modifications['ALGO'] KeyError: 'ALGO'
Solution is that having an else or elif to capture this and breaks the process peacefully with proper exit code.
else
elif
In the below section of
VaspMultiStageWorkChain(https://github.com/morgan-group-bath/aiida-bjm/blob/9335c95034d7569ba83b7bfd648f171124e298ac/aiida_bjm/workchains/vasp_multistage.py#L523-L532), if we face an issue and change theALGOtoAll, then if the same issue happens, none ofif elifconditions will meet, and therfore, the process gets excepted with:Solution is that having an
elseorelifto capture this and breaks the process peacefully with proper exit code.