<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Besides, is there a way that I can edit the file of cell_base.f90? I think I could add some options to it and then carry out the calculation of vc_relax using the ‘ibrav’ for the cell_dofree description. But, thus far, I couldn’t find out the Module file when QE was installed using MacPorts.<div class=""><br class=""><div class="">
<div dir="auto" style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;">Thank you for considering my request.</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;">Sheng-Chih Lin</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;"><a href="mailto:r03223130@ntu.edu.tw" class="">r03223130@ntu.edu.tw</a></div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><br class=""></div><br class="Apple-interchange-newline"></div><br class="Apple-interchange-newline">
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<div><br class=""><blockquote type="cite" class=""><div class="">Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" class="">p.giannozzi@gmail.com</a>> 於 2019年9月19日 下午9:03 寫道：</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="">I see. For some reason the configure of FoX selects a different version of gfortran than the one selected by the configure of QE. Any Macintosh lover out there?<br class=""></div><div class=""><br class=""></div><div class="">Paolo<br class=""></div><br class=""></div><br class=""><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Sep 19, 2019 at 2:57 PM 林聖智 <<a href="mailto:r03223130@ntu.edu.tw" class="">r03223130@ntu.edu.tw</a>> wrote:<br class=""></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div style="overflow-wrap: break-word;" class=""><div class="">Hi Paolo,</div><div class=""><br class=""></div>Following the last mail, after failing to install the version 6.4, I went back to that of 6.3. Yet, this time I didn’t use MacPorts to install it, but used steps of ./configure and make all to carry the installation. And, the installation did not work. After that, I used MacPorts to install the version 6.3 successfully. <div class=""><br class=""></div><div class="">Hope this piece of information can help identify the problem with the manual installation in my computer. <br class=""><div class=""><br class=""><div class="">
<div dir="auto" style="overflow-wrap: break-word;" class=""><div style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px;" class="">Thank you for considering my request.</div><div style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px;" class="">Sheng-Chih Lin</div><div style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px;" class=""><a href="mailto:r03223130@ntu.edu.tw" target="_blank" class="">r03223130@ntu.edu.tw</a></div><div style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px;" class=""><br class=""></div><br class="gmail-m_1060356577712844175Apple-interchange-newline"></div><br class="gmail-m_1060356577712844175Apple-interchange-newline">
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<div class=""><br class=""><blockquote type="cite" class=""><div class="">林聖智 <<a href="mailto:r03223130@ntu.edu.tw" target="_blank" class="">r03223130@ntu.edu.tw</a>> 於 2019年9月19日 下午8:37 寫道：</div><br class="gmail-m_1060356577712844175Apple-interchange-newline"><div class=""><div style="overflow-wrap: break-word;" class="">Hi Paolo,<div class=""><br class=""></div><div class="">Thanks again for your kind help. I originally used MacPorts to install quantum-espresso 6.3, and I thought there might be a conflict between two versions, so I then uninstalled 6.3 first and complied again. However, the message, as follows, just kept showing up. And I also tried the command - make clean, but was no joy, either. </div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class=""><b class="">fox_init_module.f90:5:4:</b></span></div><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255);min-height:13px" class=""><span style="font-variant-ligatures:no-common-ligatures" class=""></span><br class=""></div><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class=""> USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof</span></div><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures" class=""> </span><span style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)" class=""><b class="">1</b></span></div><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;background-color:rgb(255,255,255)" class=""><span style="font-variant-ligatures:no-common-ligatures;color:rgb(195,55,32)" class=""><b class="">Fatal Error:</b></span><span style="font-variant-ligatures:no-common-ligatures" class=""> Cannot read module file '<b class="">m_common_io.mod</b>' opened at (1), because it was created by a different version of GNU Fortran</span></div></div><div class=""><br class=""><div class=""><br class=""></div><div class="">Also, when I make clean, the FoX file would automatically disappear as well, so I am confused with your instruction of removing the directory FoX. </div><div class=""><br class=""></div><div class="">
<div dir="auto" style="overflow-wrap: break-word;" class=""><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" class="">Thank you for considering my request.</div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" class="">Sheng-Chih Lin</div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" class=""><a href="mailto:r03223130@ntu.edu.tw" target="_blank" class="">r03223130@ntu.edu.tw</a></div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" class=""><br class=""></div><br class="gmail-m_1060356577712844175Apple-interchange-newline"></div><br class="gmail-m_1060356577712844175Apple-interchange-newline">
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<div class=""><br class=""><blockquote type="cite" class=""><div class="">Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" target="_blank" class="">p.giannozzi@gmail.com</a>> 於 2019年9月19日 下午4:33 寫道：</div><br class="gmail-m_1060356577712844175Apple-interchange-newline"><div class=""><div dir="ltr" class="">Remove the directory FoX/ and recompile - Paolo<br class=""></div><br class=""><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Sep 19, 2019 at 8:37 AM 林聖智 <<a href="mailto:r03223130@ntu.edu.tw" target="_blank" class="">r03223130@ntu.edu.tw</a>> wrote:<br class=""></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear Paolo Giannozzi,<br class="">
<br class="">
Thanks for the reply. I do use the command of make clean, but still cannot compile completely.<br class="">
<br class="">
Best, <br class="">
Sheng-Chih<br class="">
<br class="">
> Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" target="_blank" class="">p.giannozzi@gmail.com</a>> 於 2019年9月19日 下午2:29 寫道：<br class="">
> <br class="">
> Fortran<br class="">
<br class="">
_______________________________________________<br class="">
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank" class="">www.max-centre.eu/quantum-espresso</a>)<br class="">
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank" class="">users@lists.quantum-espresso.org</a><br class="">
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all" class=""><br class="">-- <br class=""><div dir="ltr" class="gmail-m_1060356577712844175gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class="">Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br class="">Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br class="">Phone +39-0432-558216, fax +39-0432-558222<br class=""><br class=""></div></div></div></div></div>
_______________________________________________<br class="">Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" target="_blank" class="">www.max-centre.eu/quantum-espresso</a>)<br class="">users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank" class="">users@lists.quantum-espresso.org</a><br class=""><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div></blockquote></div><br class=""></div></div>_______________________________________________<br class="">Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" target="_blank" class="">www.max-centre.eu/quantum-espresso</a>)<br class="">users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank" class="">users@lists.quantum-espresso.org</a><br class=""><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div></blockquote></div><br class=""></div></div></div>_______________________________________________<br class="">
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank" class="">www.max-centre.eu/quantum-espresso</a>)<br class="">
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank" class="">users@lists.quantum-espresso.org</a><br class="">
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all" class=""><br class="">-- <br class=""><div dir="ltr" class="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class="">Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br class="">Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br class="">Phone +39-0432-558216, fax +39-0432-558222<br class=""><br class=""></div></div></div></div></div>
_______________________________________________<br class="">Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" class="">www.max-centre.eu/quantum-espresso</a>)<br class="">users mailing list <a href="mailto:users@lists.quantum-espresso.org" class="">users@lists.quantum-espresso.org</a><br class=""><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div></blockquote></div><br class=""></div></body></html>