<html><head><meta http-equiv="Content-Type" content="text/html charset=windows-1252"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear Davide,<div class=""><br class=""></div><div class="">thanks you for your answer and help.</div><div class=""><br class=""></div><div class="">I installed QE 5.2.1, doing the following:</div><div class=""><br class=""></div><div class="">run “./configure"</div><div class="">run "make all"</div><div class=""><br class=""></div><div class="">which makes QE running but do not install GIPAW. Therefore I tried to compile this specific module:</div><div class=""><br class=""></div><div class="">run "make gipaw”</div><div class=""><br class=""></div><div class="">and got the following error:</div><div class=""><br class=""></div><div class=""><div class="">touch uncompress-gipaw</div><div class="">cd ../GIPAW ; \</div><div class=""><span class="" style="white-space: pre;"> </span>./configure --with-qe-source=/home/fmartinm/bin/espresso-5.2.1</div><div class="">checking for /home/fmartinm/bin/espresso-5.2.1/make.sys... yes</div><div class="">checking for /home/fmartinm/bin/espresso-5.2.1/Modules/version.f90... yes</div><div class="">checking Quantum-Espresso version... 5.2.0</div><div class="">configure: error: Cannot compile against this version of Quantum-Espresso</div><div class=""><br class=""></div><div class="">when I looked at the README inside the folder qe-gipaw-5.1 that appears in the QE folder, I read that it has to be the version QE 5.0.2, and then try this, which did not work either.</div><div class=""><br class=""></div><div class="">Do you have an idea about where the error could be? I’m happy to provide more information.</div><div class=""><br class=""></div><div class="">Thank you</div><div class=""><br class=""></div><div class="">Fran</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class="webkit-block-placeholder"></div><div apple-content-edited="true" class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class="" style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-size: 13px;"><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;"><br class="Apple-interchange-newline"><br class="Apple-interchange-newline">--</span></div><div class="" style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-size: 13px;"><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;">Dr. Francisco Martin-Martinez</span></div><div class="" style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-size: 13px;"><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;">Laboratory for Atomistic & Molecular Mechanics</span></div><div class="" style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-size: 13px;"><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;">Department of Civil and Environmental Engineering</span></div><div class="" style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-size: 13px;"><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;">Massachusetts Institute of Technology</span></div><div class="" style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-size: 13px;"><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;">Cambridge, MA 02139-4307, USA</span></div><div class="" style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-size: 13px;"><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;">Room 1-174 | Phone: +1 617 258 8070 | Mobile: </span><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;">+1 857 500 9201</span><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;"> </span></div><div class="" style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-size: 13px;"><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;">URL: <a href="http://web.mit.edu/fmartinm/www/" class="">http://web.mit.edu/fmartinm/www/</a></span></div><div class="" style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-size: 13px;"><span class="" style="color: rgb(121, 121, 121); font-family: Verdana; font-size: 12px; orphans: 2; widows: 2;">e-mail: <a href="mailto:fmartinm@mit.edu" class="">fmartinm@mit.edu</a></span></div></div></div></div>
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<br class=""><div><blockquote type="cite" class=""><div class="">On Oct 22, 2015, at 09:34, Davide Ceresoli <<a href="mailto:davide.ceresoli@istm.cnr.it" class="">davide.ceresoli@istm.cnr.it</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div class="">Dear Franciso, Paolo,<br class=""> I've just made changes to GIPAW to make it compatible<br class="">with the current SVN version of QE (5.2.1). One must<br class="">get both QE and GIPAW from the SVN.<br class=""><br class="">Best wishes,<br class=""> Davide<br class=""><br class=""><br class=""><br class="">On 10/22/2015 08:18 AM, Paolo Giannozzi wrote:<br class=""><blockquote type="cite" class="">Dear Francisco<br class=""><br class="">I don't know much about the current status of GIPAW. I am forwarding your query<br class="">to the q-e-developers mailing list. Best regards<br class=""><br class="">Paolo<br class=""><br class="">On Thu, Oct 22, 2015 at 1:33 AM, Francisco Martinez <<a href="mailto:fmartinm@mit.edu" class="">fmartinm@mit.edu</a><br class=""><<a href="mailto:fmartinm@mit.edu" class="">mailto:fmartinm@mit.edu</a>>> wrote:<br class=""><br class=""> Dear Prof. Giannozzi,<br class=""><br class=""> I am a postdoctoral researcher at MIT in the research group of Prof. Markus<br class=""> Buehler. I work on DFT and I am trying to run GIPAW for NMR calculations. I<br class=""> have been attempting to compile GIPAW 5.1 with QE 5.0.2. I tried first QE<br class=""> 5.2.1 but it looks that GIPAW is for an older version. I also tried to<br class=""> compile with the 10590 version of QE 5.2.1. None of these work.<br class=""><br class=""> Because you are one of the developers of the code, could you please give me<br class=""> some advice about how to proceed? What are the correct version and where to<br class=""> download them?<br class=""><br class=""> Thank you very much in advance<br class=""><br class=""> Francisco<br class=""><br class=""><br class=""><br class=""> --<br class=""> Dr. Francisco Martin-Martinez<br class=""> Laboratory for Atomistic & Molecular Mechanics<br class=""> Department of Civil and Environmental Engineering<br class=""> Massachusetts Institute of Technology<br class=""> Cambridge, MA 02139-4307, USA<br class=""> Room 1-174 | Phone: +1 617 258 8070 <<a href="tel:%2B1%20617%20258%208070" class="">tel:%2B1%20617%20258%208070</a>> | Mobile:<br class=""> +1 857 500 9201 <<a href="tel:%2B1%20857%20500%209201" class="">tel:%2B1%20857%20500%209201</a>><br class=""> URL: <a href="http://web.mit.edu/fmartinm/www/" class="">http://web.mit.edu/fmartinm/www/</a><br class=""> e-mail: <a href="mailto:fmartinm@mit.edu" class="">fmartinm@mit.edu</a> <<a href="mailto:fmartinm@mit.edu" class="">mailto:fmartinm@mit.edu</a>><br class=""><br class=""><br class=""><br class=""><br class="">--<br class="">Paolo Giannozzi, Dept. Chemistry&Physics&Environment,<br class="">Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br class="">Phone +39-0432-558216 <<a href="tel:%2B39-0432-558216" class="">tel:%2B39-0432-558216</a>>, fax +39-0432-558222<br class=""><<a href="tel:%2B39-0432-558222" class="">tel:%2B39-0432-558222</a>><br class=""><br class=""><br class="">_______________________________________________<br class="">Q-e-developers mailing list<br class=""><a href="mailto:Q-e-developers@qe-forge.org" class="">Q-e-developers@qe-forge.org</a><br class="">http://qe-forge.org/mailman/listinfo/q-e-developers<br class=""><br class=""></blockquote><br class=""></div></div></blockquote></div><br class=""></div></body></html>