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
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
