Fix NEB tests

parent 155a2f19
Pipeline #20996233 passed with stage
in 3 minutes and 37 seconds
# Creates: neb-emt.csv, neb-gpaw.csv
def workflow():
from myqueue.job import Job
return [
Job('neb.agts.py@12x15m')]
if __name__ == '__main__':
from ase.optimize.test.neb import *
...@@ -4,5 +4,5 @@ from myqueue.job import Job ...@@ -4,5 +4,5 @@ from myqueue.job import Job
def workflow(): def workflow():
return [ return [
Job('diffusion1.py@4x10s'), Job('diffusion1.py@4x10s'),
Job('neb.py@12x1m', deps=['diffusion1.py']), Job('neb.py@6x1m', deps=['diffusion1.py']),
Job('check.py', deps=['neb.py'])] Job('check.py', deps=['neb.py'])]
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment