Two more issue: I did not find case.inop file while x lapw2 -fermi -p was ran successfully. in case.in2 TOT was automatically changed to QTL.
regards Bhamu On Thu, Feb 18, 2016 at 10:07 PM, Dr. K. C. Bhamu <kcbham...@gmail.com> wrote: > Yes, x lapw1 -p -band > X lapw2 -band -qtl -p ran successfully. > > Regards > Bhamu > On 18-Feb-2016 10:01 pm, "Elias Assmann" <elias.assm...@gmail.com> wrote: > >> On 02/18/2016 04:31 PM, Dr. K. C. Bhamu wrote: >> > [1] 1371 >> > ssh: connect to host nid01855 port 204: Connection refused^M >> >> This is the relevant message, I think. >> >> Two guesses what could be happening: >> >> 1. You have not set up the passwordless ssh login that k-parallel >> Wien2k requires (try the command ‘ssh-copy-id’). >> >> 2. You are on a cluster that permits ssh only to nodes that are >> allocated to your job but you are trying to connect to other nodes (e.g. >> due to a stale ‘.machines’). >> >> Actually, my guess is no. 2 since no. 1 should show a password prompt >> instead. Do any k-parallel jobs work? >> >> >> Elias >> >> >> -- >> Elias Assmann >> Institute of Theoretical and Computational Physics >> TU Graz ⟨https://itp.tugraz.at/⟩ >> _______________________________________________ >> 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 >> >
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