<div dir="ltr"><div style="font-size:large" class="gmail_default">Dear Gavin,</div><div style="font-size:large" class="gmail_default">Thank you very much for pointing useful suggestion.</div><div style="font-size:large" class="gmail_default">Actually I have activated conda environment which was creating problem.</div><div style="font-size:large" class="gmail_default"><br></div><div style="font-size:large" class="gmail_default">Now it worked on local PC.</div><div style="font-size:large" class="gmail_default"><br></div><div style="font-size:large" class="gmail_default">Thank you very much.</div><div style="font-size:large" class="gmail_default">Regards</div><div style="font-size:large" class="gmail_default">Bhamu<br></div><div style="font-size:large" class="gmail_default"></div><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"></div></div></div></div></div></div></div></div></div></div></div></div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Nov 8, 2019 at 8:52 AM Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div>
<p>The error below with ElaStic [1] might be coming from running
ElaStic_Analyze with Python 3.x. You might need to run it with
Python 2.x, or modify Python script to work with Python 3.x [2,3].<br>
</p>
[1] <a href="http://exciting-code.org/elastic" target="_blank">http://exciting-code.org/elastic</a><br>
[2] <a href="https://python-future.org/compatible_idioms.html" target="_blank">https://python-future.org/compatible_idioms.html</a><br>
[3]
<a href="https://stackoverflow.com/questions/25445439/what-does-syntaxerror-missing-parentheses-in-call-to-print-mean-in-python" target="_blank">https://stackoverflow.com/questions/25445439/what-does-syntaxerror-missing-parentheses-in-call-to-print-mean-in-python</a><br>
<div><br>
</div>
<div>On 11/7/2019 7:34 AM, Dr. K. C. Bhamu
wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div class="gmail_default" style="font-size:large">Dear Wien2k
users,</div>
<div class="gmail_default" style="font-size:large"><br>
</div>
<div class="gmail_default" style="font-size:large">Greetings!!</div>
<div class="gmail_default" style="font-size:large"><br>
</div>
<div class="gmail_default" style="font-size:large">I could
successfully run all scf calculations with Elast_1.1m package
interfaced with latest Wien2k_19.1.</div>
<div class="gmail_default" style="font-size:large">I am able to
get the elastic constants on my cluster.</div>
<div class="gmail_default" style="font-size:large">But Xterm is
not set for xmgrace so I could not visualize the plots on
cluster.</div>
<div class="gmail_default" style="font-size:large"><br>
</div>
<div class="gmail_default" style="font-size:large">When I tried
to analysis the results on my local PC (with Ubutu_18.04.1 and
Wien2k_18.2 compiled with ifort), I encounter an error
"raw_input not found" while same files worked on cluster.</div>
<div class="gmail_default" style="font-size:large"><br>
</div>
<div class="gmail_default" style="font-size:large">The detailed
error is below:<br>
</div>
<div class="gmail_default" style="font-size:large"><br>
</div>
<div class="gmail_default" style="font-size:large">kcbhamu@kcbhamu-HP:~/Documents/work/w2k/case$
<b>./ElaStic_Analyze</b><br>
</div>
<div class="gmail_default" style="font-size:large">Traceback
(most recent call last):<br>
File ".//ElaStic_Analyze_Energy", line 205, in
<module><br>
print >>f, strain,' ', energy<br>
TypeError: unsupported operand type(s) for >>:
'builtin_function_or_method' and '_io.TextIOWrapper'. Did you
mean "print(<message>, file=<output_stream>)"?<br>
Traceback (most recent call last):<br>
File "./ElaStic_Analyze", line 52, in <module><br>
var = raw_input('>>>> press any key to
continue ')<br>
NameError: name 'raw_input' is not defined</div>
<div class="gmail_default" style="font-size:large"><b><br>
</b></div>
<div class="gmail_default" style="font-size:large">but with
/ElaStic_Analyze_Energy I am getting different error.<b><br>
</b></div>
<div class="gmail_default" style="font-size:large"><b><br>
</b></div>
<div class="gmail_default" style="font-size:large">kcbhamu@kcbhamu-HP:~/Documents/work/w2k/case$<b>
./ElaStic_Analyze_Energy </b><br>
Traceback (most recent call last):<br>
File "./ElaStic_Analyze_Energy", line 205, in <module><br>
print >>f, strain,' ', energy<br>
TypeError: unsupported operand type(s) for >>:
'builtin_function_or_method' and '_io.TextIOWrapper'. Did you
mean "print(<message>, file=<output_stream>)"?<br>
</div>
<div class="gmail_default" style="font-size:large"><br>
</div>
<div class="gmail_default" style="font-size:large"><b>My
INFO_ElaStic file reads:</b></div>
<div class="gmail_default" style="font-size:large">Order of
elastic constants = 2 <br>
Method of calculation = Energy <br>
DFT code name = WIEN2k <br>
Space-group number = 129 <br>
Volume of equilibrium unit cell = 564.617991633 [a.u^3] <br>
Maximum Lagrangian strain = 0.07 <br>
Number of distorted structures = 7</div>
<div class="gmail_default" style="font-size:large"><br>
</div>
<div class="gmail_default" style="font-size:large">Could someone
please help me how to overcome this error?</div>
<div class="gmail_default" style="font-size:large"><br>
</div>
<div class="gmail_default" style="font-size:large">Please let me
know if any additional information is required for the same.<br>
</div>
<div class="gmail_default" style="font-size:large"><br>
</div>
<div class="gmail_default" style="font-size:large">Regards</div>
<div class="gmail_default" style="font-size:large">Bhamu<br>
</div>
</div>
</blockquote>
<blockquote type="cite"></blockquote>
</div>
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