Before you ran the job file, did you create case.inop from the templates:
cp $WIENROOT/SRC_templates/case.inop X.inop
and edit it in a text editor (like nano):
where X is the name you used for your calculation.
Maybe "x lapw2 -qtl" crashed in an earlier calculation such that QTL did
not get changed back to TOT [
]. In WIEN2k versions older than 14.2, it could also happen due to a
On 2/18/2016 12:56 PM, Dr. K. C. Bhamu wrote:
Two more issue:
I did not find case.inop file while x lapw2 -fermi -p was ran
in case.in2 TOT was automatically changed to QTL.
On Thu, Feb 18, 2016 at 10:07 PM, Dr. K. C. Bhamu <kcbham...@gmail.com
Yes, x lapw1 -p -band
X lapw2 -band -qtl -p ran successfully.
On 18-Feb-2016 10:01 pm, "Elias Assmann" <elias.assm...@gmail.com
On 02/18/2016 04:31 PM, Dr. K. C. Bhamu wrote:
>  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
due to a stale ‘.machines’).
Actually, my guess is no. 2 since no. 1 should show a password
instead. Do any k-parallel jobs work?
Institute of Theoretical and Computational Physics
TU Graz ⟨https://itp.tugraz.at/⟩
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