Hello Anubhav,
After deleting the LDAU check to add LDAU firework in snl_to_wf.py, I am getting the following error. I am printing out the links list and fireworks list
Links list: defaultdict(<type 'list'>, {0: [1], 1: [2], 2: [3], 3: [], -1: []})
Fireworks list:
{1: <fireworks.core.firework.FireWork object at 0xd356190>, 2: <fireworks.core.firework.FireWork object at 0xd356090>, 3: <fireworks.core.firework.FireWork object at 0xd3560d0>, -1: <fireworks.core.firework.FireWork object at 0xcb1a350>}
Traceback (most recent call last):
File "/global/u1/m/mbkumar/bm_vaspdefects/codes/MPWorks/mpworks/processors/process_submissions.py", line 81, in submit_new_workflow
wf = snl_to_wf(snl, job['parameters'])
File "/global/u1/m/mbkumar/bm_vaspdefects/codes/MPWorks/mpworks/workflows/snl_to_wf_metals.py", line 161, in snl_to_wf
snl.structure.composition.reduced_formula).alphabetical_formula, metadata=wf_meta)
File "/global/u1/m/mbkumar/bm_vaspdefects/codes/fireworks/fireworks/core/firework.py", line 636, in init
raise ValueError("Specified links don't match given FW")
ValueError: Specified links don't match given FW