You got:
*calculating QTL's from parallel vectors* !!! ????
If I understand the message correctly, it happens ONLY ?? when you
calculate the qtls, not during scf.
So your command is either x lapw2 -p -qtl or you have QTL instead of
TOT (FOR) in case.in2 ???
In "qtl" mode, lapw2 runs actually always in single (sequential) mode,
the -p is used only to indicate that it should use the parallel vectors,
not the sequential vector.
And before lapw2 actually states, it executes a vec2old_lapw command to
collect all parallel vector files.
Maybe here is the problem, because vec2old uses
set remotecp = scp
and most likely on your cluster scp is not allowed.
Edit vec2old and put in the proper remote copy command for your cluster.
If this does not help, put a -xf in the first line of lapw2para (and
vec2old), which gives you a long output, but from that you can follow
what commands are actually executed and where the problem is.
Am 12.10.2017 um 03:36 schrieb Maciej Polak:
Dear WIEN2k community,
I am faced with a problem, where the "*x lapw2 -p*" procedure on my
cluster asks me for passwords to all the nodes it uses:
*
*
*calculating QTL's from parallel vectors*
*mpo...@wn0125.ib.trojan.kdm.wcss.pl's password:*
no matter what I do after i get:
*
*
*Received disconnect from 10.27.75.188: 2: Too many authentication
failures for mpolak*
And it repeats for all the nodes that are used.
This only happens when i invoke "*x lapw2 -p*" by itself, the lapw2
within the flow of "*run_lapw*" correctly uses the passwordless command
for communicating between nodes that is specified as a part of the
./siteconfig_lapw for compilaton.
I am not allowed to log in directly into nodes, so no password works,
and even if it did, I want the job to run without my input, like all the
other do, and use the ssh method provided with the compilation.
Is there a fix to this? If i'm not mistaken, this issue started with
WIEN2k 16.1 and persists through version 17.1. All other parts i use
(lapw0,1 and lapwso) work as expected with no problems.
I would really appreciate help in this matter.
Best regards
Maciej Polak
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