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parent 80b74574
Pipeline #21374213 passed with stage
in 3 minutes and 9 seconds
......@@ -4,30 +4,30 @@ from myqueue.job import Job
def workflow():
return [
Job('h2o.py', folder='water'),
Job('CO.py@8x15s', folder='wavefunctions'),
Job('Al_fcc.py@2x15s', folder='aluminium'),
Job('Al_bcc.py@2x15s', folder='aluminium'),
Job('CO.py@8x15m', folder='wavefunctions'),
Job('Al_fcc.py@2x15m', folder='aluminium'),
Job('Al_bcc.py@2x15m', folder='aluminium'),
Job('Al_fcc_vs_bcc.py@2x15s', folder='aluminium'),
Job('Al_fcc_modified.py@2x15s', folder='aluminium'),
Job('initial.py@2x15m', folder='diffusion'),
Job('solution.py@2x15m', folder='diffusion'),
Job('densitydiff.py', folder='diffusion', deps=['solution.py']),
Job('si.py@8x15s', folder='wannier'),
Job('si.py@8x15m', folder='wannier'),
Job('wannier-si.py', folder='wannier', deps=['si.py']),
Job('benzene.py@8x15s', folder='wannier'),
Job('benzene.py@8x15m', folder='wannier'),
Job('wannier-benzene.py', folder='wannier', deps=['benzene.py']),
Job('ag.py', folder='band_structure'),
Job('h2o.py@8x15s', folder='vibrations'),
Job('H2O_vib.py@8x15s', folder='vibrations', deps=['h2o.py']),
Job('H2O_vib_2.py@4x15s', folder='vibrations', deps=['H2O_vib.py']),
Job('ferro.py@4x15s', folder='iron'),
Job('anti.py@4x15s', folder='iron'),
Job('non.py@2x15s', folder='iron'),
Job('h2o.py@8x15m', folder='vibrations'),
Job('H2O_vib.py@8x15m', folder='vibrations', deps=['h2o.py']),
Job('H2O_vib_2.py@4x15m', folder='vibrations', deps=['H2O_vib.py']),
Job('ferro.py@4x15m', folder='iron'),
Job('anti.py@4x15m', folder='iron'),
Job('non.py@2x15m', folder='iron'),
Job('PBE.py', folder='iron', deps=['ferro.py', 'anti.py', 'non.py']),
Job('test.py', folder='eels', deps=['../band_structure/ag.py']),
Job('test.py', folder='gw'),
Job('si.pbe.py', folder='rpa'),
Job('si_pbe_exx.py@4x15s', folder='rpa', deps=['si.pbe.py']),
Job('si_pbe_exx.py@4x15m', folder='rpa', deps=['si.pbe.py']),
Job('si.rpa_init_pbe.py', folder='rpa'),
Job('si.rpa.py@4x15m', folder='rpa', deps=['si.rpa_init_pbe.py']),
Job('con_pw.py', folder='stress'),
......
......@@ -2,5 +2,5 @@ from myqueue.job import Job
def workflow():
jobs = [Job('g21gpaw.py+{}@1x40m'.format(i)) for i in range(4)]
jobs = [Job('g21gpaw.py+{}@1x40h'.format(i)) for i in range(4)]
return jobs + [Job('analyse.py', deps=jobs)]
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