<div dir="auto"><div>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:</div><div dir="auto"><br></div><div dir="auto">a) Try the -F option in ssh; you never know. </div><div dir="auto">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</div><div dir="auto">c) For mpi you might want to use openmpi, as this has flags which may allow you to set WIENROOT.</div><div dir="auto">d) The unsupported SRC_mpirun contains pbsh, which is just:</div><div dir="auto"> mpirun -x LD_LIBRARY_PATH -x PATH -np 1 --host $1 /bin/csh -c " $2 "</div><div dir="auto"> If you use openmpi, this can replace ssh at least for non-mpi launching. (Yes, it is nuts to use mpirun to replace ssh, but then your IT people are a bit ...)</div><div dir="auto"><br></div><div dir="auto">Of course the right solution is for your IT people to not violate standards, but they will probably not listen to you.</div><div dir="auto"><div dir="auto"><br></div><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu" rel="noreferrer noreferrer noreferrer" target="_blank">www.numis.northwestern.edu</a></div><br><div class="gmail_quote" dir="auto"><div dir="ltr" class="gmail_attr">On Sat, Sep 12, 2020, 03:35 Ilias Miroslav, doc. RNDr., PhD. <<a href="mailto:miroslav.ilias@umb.sk" rel="noreferrer noreferrer noreferrer" target="_blank">miroslav.ilias@umb.sk</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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Hello,</div>
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I have similar problem as decribed here <a href="https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19049.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!HREqiT8gK4WAIMpsc_-eaOgl27LXFRV8wZUs_GPSCSIhrk7WUx8Vy8mcbQy7LR2TJk4eoQ$" rel="noreferrer noreferrer noreferrer noreferrer" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19049.html</a> .</div>
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<pre style="font-family:courier,"courier new",monospace;font-size:14px;margin:0px;background-color:rgb(255,255,255)">ssh vsli2 'echo $WIENROOT'</pre>
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The ssh connection does not preserve the WIENROOT envirovariable. </div>
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IT admin does not want the variable ""PermitUserEnvironment" in .sshd_config to be set .</div>
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Therefore, I have to change Wien2k scripts to incorporate enviromental variable passing.</div>
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Any hints, howtos ?</div>
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Miro</div>
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