[Wien] error in parallel lapw2

jayangani ranasinghe jayanganir at yahoo.com
Sat Mar 23 17:58:18 CET 2019


Dear developers and users.
I have completed a scf calculation with hubbard U and SOC included using wien2k 18.2. I want to do bandstructure calculation now. I am doing these calculation as batch job submission to a remote computer. I have completed my scf in a parallel calculation.
In the bandstructure calculation I am getting error at lapw2 run. I saw at the beginning of case.output2up that it says " Running LAPW2 in single processor mode" which is the reason to crash. But I have put "-p" switch in my command. Bellow is the steps I tried. First two commands completed without error. But I cannot figure out why lapw2 do not go to parallel mode.


x lapw1 -band -orb -up -p
x lapw1 -band -orb -dn -p
x lapw2 -qtl -band -up -p -so


Can you please let me know how to solve this issue
Thank youInoka
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