[Wien] ssh command in Wien2k scripts

Laurence Marks laurence.marks at gmail.com
Sat Sep 12 12:29:07 CEST 2020


Unfortunately IT admins sometimes decide to violate standards, and this can
break Wien2k (as well as many other codes). What you are going to have to
do is duplicate setting up the environment. This is perhaps what they don't
want done, so you might run into trouble with the admins. Suggestions:

a) Try the -F option in ssh; you never know.
b) Use something else, e.g. rsh instead of ssh. You would change this for
the parallel scripts using siteconfig. With Intel impi you can change the
launcher using --bootstrap-exec
c) For mpi you might want to use openmpi, as this has flags which may allow
you to set WIENROOT.
d) The unsupported SRC_mpirun contains pbsh, which is just:
 mpirun -x LD_LIBRARY_PATH -x PATH -np 1 --host $1 /bin/csh -c " $2 "
 If you use openmpi, this can replace ssh at least for non-mpi launching.
(Yes, it is nuts to use mpirun to replace ssh, but then your IT people are
a bit ...)

Of course the right solution is for your IT people to not violate
standards, but they will probably not listen to you.


_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Sat, Sep 12, 2020, 03:35 Ilias Miroslav, doc. RNDr., PhD. <
miroslav.ilias at umb.sk> wrote:

> Hello,
>
> I have similar problem as decribed here
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19049.html
> <https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19049.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!HREqiT8gK4WAIMpsc_-eaOgl27LXFRV8wZUs_GPSCSIhrk7WUx8Vy8mcbQy7LR2TJk4eoQ$>
>  .
>
> ssh vsli2 'echo $WIENROOT'
>
>
> The ssh connection does not preserve the WIENROOT envirovariable.
>
> IT admin does not want the variable ""PermitUserEnvironment"  in
> .sshd_config to be set .
>
> Therefore, I have to change Wien2k scripts to incorporate enviromental
> variable passing.
>
> Any hints, howtos ?
>
> Miro
>
>
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