<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
</head>
<body>
<p>Dear Fabrizio,<br>
</p>
<p>I am compiling with libxc 5.0.0, which I installed previously.
But because the first attempt was not successful, I used the
followig recipe, that I found sometime ago:<br>
</p>
<p>- run configure without any libxc flag<br>
- go to the make.inc file and, by following the comments inside,
add the needed flags to DFLAGS, IFLAGS and LD_LIBS.<br>
</p>
<p>Do you think that it is better not to use libxc at all?</p>
<p>José C. Conesa<br>
</p>
<div class="moz-cite-prefix">El 26/01/2021 a las 19:10, Fabrizio
Ferrari escribió:<br>
</div>
<blockquote type="cite"
cite="mid:CAL7fUk5WvLiF13N0Dzc0kQGvngfMd0oDvFY2gJcWOHvYoOnT4A@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">
<div>Hello,</div>
<div>are you compiling with libxc? Which version?</div>
<div><br>
</div>
<div>Fabrizio<br>
</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Tue, Jan 26, 2021 at 6:39
PM José Carlos Conesa Cegarra <<a
href="mailto:jcconesa@icp.csic.es" moz-do-not-send="true">jcconesa@icp.csic.es</a>>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px
0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear
all,<br>
<br>
I tried compiling qe-6.7. The compilation fails with a number
of <br>
messages like these:<br>
<br>
funct.f90(40): error #7002: Error in opening the compiled
module file. <br>
Check INCLUDE paths. [XC_F03_LIB_M]<br>
USE xc_f03_lib_m<br>
------^<br>
funct.f90(424): error #6457: This derived type name has not
been <br>
declared. [XC_F03_FUNC_T]<br>
TYPE(xc_f03_func_t) :: xc_func03<br>
---------^<br>
funct.f90(776): error #6404: This name does not have a type,
and must <br>
have an explicit type. [XC_FUNC03]<br>
CALL xc_f03_func_init( xc_func03, id_vec(ii), 1 )<br>
-------------------------------^<br>
funct.f90(926): error #6054: A CHARACTER data type is required
in this <br>
context. [XC_F03_FUNCTIONAL_GET_NAME]<br>
name = xc_f03_functional_get_name( i )<br>
--------------^<br>
funct.f90(962): error #6601: In a CASE statement, the
case-value must be <br>
a constant expression. [XC_FAMILY_GGA]<br>
CASE( XC_FAMILY_GGA, XC_FAMILY_HYB_GGA )<br>
----------------^<br>
funct.f90(962): error #6612: In a CASE statement, the
case-value must be <br>
of type INTEGER, CHARACTER, or LOGICAL. [XC_FAMILY_GGA]<br>
CASE( XC_FAMILY_GGA, XC_FAMILY_HYB_GGA )<br>
----------------^<br>
funct.f90(962): error #6611: The case-value must be of the
same type as <br>
the case-expr. [XC_FAMILY_GGA]<br>
CASE( XC_FAMILY_GGA, XC_FAMILY_HYB_GGA )<br>
----------------^<br>
<br>
All of them relate to funct.f90. Maybe the key issue relates
to error <br>
#7002; but I could not find any module named xc_f03_lib_m.mod.
Which can <br>
be the reason?<br>
<br>
Regards,<br>
<br>
José C. Conesa<br>
<br>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a
href="http://www.max-centre.eu" rel="noreferrer"
target="_blank" moz-do-not-send="true">www.max-centre.eu</a>)<br>
users mailing list <a
href="mailto:users@lists.quantum-espresso.org"
target="_blank" moz-do-not-send="true">users@lists.quantum-espresso.org</a><br>
<a
href="https://lists.quantum-espresso.org/mailman/listinfo/users"
rel="noreferrer" target="_blank" moz-do-not-send="true">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu">www.max-centre.eu</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
</blockquote>
<pre class="moz-signature" cols="72">--
José C. Conesa
Research Professor
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie, 2; Campus de Cantoblanco
28028 Madrid (Spain)
Phone +34 915854766</pre>
<div id="DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2"><br /> <table style="border-top: 1px solid #D3D4DE;">
<tr>
<td style="width: 55px; padding-top: 18px;"><a href="https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=emailclient" target="_blank"><img src="https://ipmcdn.avast.com/images/icons/icon-envelope-tick-round-orange-animated-no-repeat-v1.gif" alt="" width="46" height="29" style="width: 46px; height: 29px;" /></a></td>
<td style="width: 470px; padding-top: 17px; color: #41424e; font-size: 13px; font-family: Arial, Helvetica, sans-serif; line-height: 18px;">Libre de virus. <a href="https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=emailclient" target="_blank" style="color: #4453ea;">www.avast.com</a> </td>
</tr>
</table>
<a href="#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2" width="1" height="1"> </a></div></body>
</html>