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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">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">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: josh.liptonduffin@qut.edu.au | Web: www.qut.edu.au/ife/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">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>
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<p class="MsoNormal"><b><span lang="EN-US">From:</span></b><span lang="EN-US"> Paolo Giannozzi <p.giannozzi@gmail.com>
<br>
<b>Sent:</b> Wednesday, 21 October 2020 1:56 AM<br>
<b>To:</b> General discussion list for Quantum ESPRESSO developers <developers@lists.quantum-espresso.org><br>
<b>Cc:</b> Josh Lipton-Duffin <josh.liptonduffin@qut.edu.au><br>
<b>Subject:</b> Re: [QE-developers] proper directory delimiters under windows<o:p></o:p></span></p>
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<p class="MsoNormal">Hi, where do precompiled binaries come from and how are they compiled? <o:p></o:p></p>
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<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>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">Paolo<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">On Tue, Oct 20, 2020 at 11:54 AM Josh Lipton-Duffin <<a href="mailto:josh.liptonduffin@qut.edu.au">josh.liptonduffin@qut.edu.au</a>> wrote:<o:p></o:p></p>
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<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"><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"><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>
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<p class="MsoNormal">_______________________________________________<br>
developers mailing list<br>
<a href="mailto:developers@lists.quantum-espresso.org" target="_blank">developers@lists.quantum-espresso.org</a><br>
<a href="https://urldefense.com/v3/__https:/lists.quantum-espresso.org/mailman/listinfo/developers__;!!NVzLfOphnbDXSw!RYnXHn3GhqyaflR_yOVZQpGxbdckuyApTrCzQ7igUyUQ8txQJ34lyEVZSlkjXGU-liN2vDSMcds$" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/developers</a><o:p></o:p></p>
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-- <o:p></o:p></p>
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<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>
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