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<p>Hello <br>
</p>
<p>did you ever try to use WSL in windows ? Running qe in the WSL is
usually much less complicated than running the windows
executables. <br>
</p>
<p>It seems also that this is the way microsoft wants to use more
and more for supporting programs like qe in Windows. There are
also programs (e.g. IDEs like pycharm and vscode) whose
interface runs on windows while they execute code inside the WSL,
the GUIs might do something like that in the future versions. <br>
</p>
<p>So I am not sure how worth it is to invest time in trying to add
a path management of our own in the code ( currently it is done by
the compiler ), and it seems, to me, also not that easy to do. <br>
</p>
<p> regards <br>
</p>
<p>Pietro <br>
</p>
<div class="moz-cite-prefix">On 22/10/20 01:01, Josh Lipton-Duffin
wrote:<br>
</div>
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<p class="MsoNormal"><span style="mso-fareast-language:EN-US">Hello
Paolo, thank you for your reply.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">The
binaries were downloaded from
<a
href="https://github.com/advancesoftcorp/espresso/releases"
moz-do-not-send="true">https://github.com/advancesoftcorp/espresso/releases</a>,
this is the version linked to from the Quantum Espresso
download page (<a
href="https://www.quantum-espresso.org/download"
moz-do-not-send="true">https://www.quantum-espresso.org/download</a>)
perhaps they have designed a custom app for GUI that does
not have the same issue as Burai?<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">I
have asked for an ADF trial license to see how their
compiled version works. I am not experienced enough to
attempt to compile the package under windows myself though…<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">Regards,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US">-jld<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black;mso-fareast-language:EN-GB">--<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black;mso-fareast-language:EN-GB">Assoc.
Professor Josh Lipton-Duffin | Principal Research Fellow
for Surface Science<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black;mso-fareast-language:EN-GB">Institute
for Future Environments (IFE) | Central Analytical Research
Facility (CARF)
<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black;mso-fareast-language:EN-GB">Queensland
University of Technology (QUT)<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black;mso-fareast-language:EN-GB">Address:
Level 6, P Block, Gardens Point campus, 2 George St Brisbane
QLD 4000<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black;mso-fareast-language:EN-GB">Tel:
+61 7 3138 0762 | | Email: <a class="moz-txt-link-abbreviated" href="mailto:josh.liptonduffin@qut.edu.au">josh.liptonduffin@qut.edu.au</a> |
Web: <a class="moz-txt-link-abbreviated" href="http://www.qut.edu.au/ife/carf">www.qut.edu.au/ife/carf</a><o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black;mso-fareast-language:EN-GB">Please
consider the environment before printing this email
<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black;mso-fareast-language:EN-GB">CRICOS
No: 00213J<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<div style="border:none;border-top:solid #E1E1E1
1.0pt;padding:3.0pt 0cm 0cm 0cm">
<p class="MsoNormal"><b><span lang="EN-US">From:</span></b><span
lang="EN-US"> Paolo Giannozzi
<a class="moz-txt-link-rfc2396E" href="mailto:p.giannozzi@gmail.com"><p.giannozzi@gmail.com></a>
<br>
<b>Sent:</b> Wednesday, 21 October 2020 1:56 AM<br>
<b>To:</b> General discussion list for Quantum ESPRESSO
developers <a class="moz-txt-link-rfc2396E" href="mailto:developers@lists.quantum-espresso.org"><developers@lists.quantum-espresso.org></a><br>
<b>Cc:</b> Josh Lipton-Duffin
<a class="moz-txt-link-rfc2396E" href="mailto:josh.liptonduffin@qut.edu.au"><josh.liptonduffin@qut.edu.au></a><br>
<b>Subject:</b> Re: [QE-developers] proper directory
delimiters under windows<o:p></o:p></span></p>
</div>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<div>
<p class="MsoNormal">Hi, where do precompiled binaries come
from and how are they compiled? <o:p></o:p></p>
</div>
<div>
<p class="MsoNormal">Unfortunately very few people know
about compilation on Windows (and one of the few recently
moved to a different job :-( ). I remember encountering
all kinds of funny problems running on Windows executables
compiled with MinGW. They convert "/" to "\" in the
directory name when a file is opened, but "C:" wasn't
accepted, if I remember correctly. I am not sure whether a
directory name containing "\" is considered to be valid,
though. Natively compiled Windows binaries should accept
the Windows syntax for directories, I guess. I know for
sure (see the user guide) that it is possible to compile
natively on WIndows using PGI 19.10.<o:p></o:p></p>
</div>
<div>
<p class="MsoNormal"><o:p> </o:p></p>
</div>
<div>
<p class="MsoNormal">Paolo<o:p></o:p></p>
</div>
</div>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<div>
<p class="MsoNormal">On Tue, Oct 20, 2020 at 11:54 AM Josh
Lipton-Duffin <<a
href="mailto:josh.liptonduffin@qut.edu.au"
moz-do-not-send="true">josh.liptonduffin@qut.edu.au</a>>
wrote:<o:p></o:p></p>
</div>
<blockquote style="border:none;border-left:solid #CCCCCC
1.0pt;padding:0cm 0cm 0cm
6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0cm;margin-bottom:5.0pt">
<div>
<div>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">Dear
QE Developers,<o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">I
am a longtime ‘dabbler’ in QE, having not used the
program in too much depth other than a few geometry
optimisations. Up until recently I have always
interacted with the package over a unix-like HPC
cluster, but have recently found it convenient to run
small jobs on a windows desktop.<o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">I
am using the precompiled binaries (v6.3), and I have
noticed that when composing the input file one must
specify paths to output files, pseudopotentials, etc
using the unix-style forward slash “/”, eg<o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pseudo_dir
= "C:/Users/me/QE/pseudos"<o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">however,
this is syntactically incorrect on windows operating
systems, as the accepted convention should use a
backslash as a directory separator, eg.
<o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pseudo_dir
= "C:\Users\me\QE\pseudos"<o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">The
real problem I am having is that Burai, the nice GUI
from Japan will construct the input files using the
latter convention; however, when pw.exe receives an
input file with this structure it throws an error,
unable to parse the directory. This isn’t a problem
for Burai on mac or linux platforms, since their
directory delimiter is the same as unix.<o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">Is
it possible to have the windows binary (or, indeed all
versions) to recognise either a backslash or a forward
slash in the input file as a directory delimiter? I
can see where this might cause problems in escaping
characters properly, but from an end-user standpoint
it would be easier to move input files across
different platforms if either character would work.<o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">Best
regards from Australia,<o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">-jld<o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black">--</span><o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black">Assoc.
Professor Josh Lipton-Duffin | Principal Research
Fellow for Surface Science</span><o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black">Institute
for Future Environments (IFE) | Central Analytical
Research Facility (CARF)
</span><o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black">Queensland
University of Technology (QUT)</span><o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black">Address:
Level 6, P Block, Gardens Point campus, 2 George St
Brisbane QLD 4000</span><o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black">Tel:
+61 7 3138 0762 | | Email:
</span><a href="mailto:josh.liptonduffin@qut.edu.au"
target="_blank" moz-do-not-send="true"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif">josh.liptonduffin@qut.edu.au</span></a><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black">
| Web:
</span><a href="http://www.qut.edu.au/ife/carf"
target="_blank" moz-do-not-send="true"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif">www.qut.edu.au/ife/carf</span></a><o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black">Please
consider the environment before printing this email
</span><o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span
style="font-size:9.0pt;font-family:"Helvetica",sans-serif;color:black">CRICOS
No: 00213J</span><o:p></o:p></p>
<p class="MsoNormal"
style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> <o:p></o:p></p>
</div>
</div>
<p class="MsoNormal">_______________________________________________<br>
developers mailing list<br>
<a href="mailto:developers@lists.quantum-espresso.org"
target="_blank" moz-do-not-send="true">developers@lists.quantum-espresso.org</a><br>
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href="https://urldefense.com/v3/__https:/lists.quantum-espresso.org/mailman/listinfo/developers__;!!NVzLfOphnbDXSw!RYnXHn3GhqyaflR_yOVZQpGxbdckuyApTrCzQ7igUyUQ8txQJ34lyEVZSlkjXGU-liN2vDSMcds$"
target="_blank" moz-do-not-send="true">https://lists.quantum-espresso.org/mailman/listinfo/developers</a><o:p></o:p></p>
</blockquote>
</div>
<p class="MsoNormal"><br clear="all">
<br>
-- <o:p></o:p></p>
<div>
<div>
<div>
<div>
<div>
<p class="MsoNormal" style="margin-bottom:12.0pt">Paolo
Giannozzi, Dip. Scienze Matematiche Informatiche e
Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine,
Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<o:p></o:p></p>
</div>
</div>
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<br>
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<pre class="moz-quote-pre" wrap="">_______________________________________________
developers mailing list
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</pre>
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