<div dir="ltr">Thank you very much<br clear="all"><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><pre style="white-space:pre-wrap"><font face="monospace, monospace" size="1">Catalina Coll </font></pre><pre style="white-space:pre-wrap"><font face="monospace, monospace" size="1">PhD Candidate</font></pre><pre style="white-space:pre-wrap"><font face="monospace, monospace" size="1">LENS - Laboratory of Electron Nanoscopy
MIND - Micro-Nanotechnology and Nanoscopies for electrophotonic Devices
IN2UB - Institute of Nanoscience and Nanotechnology</font></pre><pre style="white-space:pre-wrap"><font face="monospace, monospace" size="1">
Departament d'Enginyeria Electrònica i Biomèdica - Universitat de Barcelona
c/ Martí i Franquès 1
08028 Barcelona
Tel: <a value="+34934039175" style="color:rgb(17,85,204)">(+34) 93 403 91 75</a></font></pre></div></div></div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Missatge de Peter Blaha <<a href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>> del dia dl., 30 de març 2020 a les 13:04:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Change all "not(dir)" to ".not.(dir)"<br>
<br>
<br>
<br>
Am 30.03.2020 um 11:55 schrieb Catalina Coll:<br>
> Thanks for the answer.<br>
> I have tried the suggested flags and I get the same error message.<br>
> Here is the error:<br>
> fold2Bloch.F90:393:9:<br>
> <br>
> if (not(dir)) then<br>
> 1<br>
> Error: ‘i’ argument of ‘not’ intrinsic at (1) must be INTEGER<br>
> fold2Bloch.F90:438:9:<br>
> <br>
> if (not(dir)) then<br>
> 1<br>
> Error: ‘i’ argument of ‘not’ intrinsic at (1) must be INTEGER<br>
> fold2Bloch.F90:447:5:<br>
> <br>
> dir=1<br>
> 1<br>
> Warning: Extension: Conversion from INTEGER(4) to LOGICAL(4) at (1)<br>
> fold2Bloch.F90:463:9:<br>
> <br>
> if (not(dir)) then<br>
> 1<br>
> Error: ‘i’ argument of ‘not’ intrinsic at (1) must be INTEGER<br>
> fold2Bloch.F90:546:9:<br>
> <br>
> if (not(dir)) then<br>
> 1<br>
> Error: ‘i’ argument of ‘not’ intrinsic at (1) must be INTEGER<br>
> <br>
> Best regards,<br>
> <br>
> Catalina Coll<br>
> <br>
> PhD Candidate<br>
> <br>
> LENS - Laboratory of Electron Nanoscopy MIND - Micro-Nanotechnology and <br>
> Nanoscopies for electrophotonic Devices IN2UB - Institute of Nanoscience <br>
> and Nanotechnology<br>
> <br>
> Departament d'Enginyeria Electrònica i Biomèdica - Universitat de Barcelona<br>
> <br>
> <br>
> <br>
> Missatge de Pavel Ondračka <<a href="mailto:pavel.ondracka@email.cz" target="_blank">pavel.ondracka@email.cz</a> <br>
> <mailto:<a href="mailto:pavel.ondracka@email.cz" target="_blank">pavel.ondracka@email.cz</a>>> del dia dl., 30 de març 2020 a les 11:27:<br>
> <br>
> Hi,<br>
> <br>
> gfotran should in theory compile anything what ifort does (assuming the<br>
> code is a valid standard fortran, which might not be a case for stuff<br>
> which is only used/tested with ifort). Just set the compiler to<br>
> gfortran instead of ifort, use the same flags as for Wien2k ("-ffree-<br>
> form -ffree-line-length-none -O2" might be a good start) and if you run<br>
> into any issues, provide the specific compile commands you use and also<br>
> the errors.<br>
> <br>
> Best regards<br>
> Pavel<br>
> <br>
> On Mon, 2020-03-30 at 11:00 +0200, Catalina Coll wrote:<br>
> > Dear users and developers,<br>
> ><br>
> > I would like to know if is possible to compile fold2Bloch with<br>
> > gfortran (I currently have WIEN2k compiled with gfortran).<br>
> ><br>
> > Thanks in advance.<br>
> ><br>
> > Catalina Coll<br>
> > PhD Candidate<br>
> > LENS - Laboratory of Electron Nanoscopy<br>
> > MIND - Micro-Nanotechnology and Nanoscopies for electrophotonic<br>
> > Devices<br>
> > IN2UB - Institute of Nanoscience and Nanotechnology<br>
> > Departament d'Enginyeria Electrònica i Biomèdica - Universitat de<br>
> > Barcelona<br>
> ><br>
> > _______________________________________________<br>
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<br>
-- <br>
Peter Blaha<br>
Inst.Materials Chemistry<br>
TU Vienna<br>
Getreidemarkt 9<br>
A-1060 Vienna<br>
Austria<br>
+43-1-5880115671<br>
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</blockquote></div>