<div dir="auto"><div dir="auto">Correct, too much in a hurry. But I still recommend to use v4.3.4 or older.</div><div dir="auto">Cheers</div><div dir="auto">Fabrizio</div><div dir="auto"></div><div dir="auto"><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Il ven 29 gen 2021, 18:38 Bidault, Xavier <<a href="mailto:xavbdlt@uic.edu" target="_blank" rel="noreferrer">xavbdlt@uic.edu</a>> ha scritto:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
Hello,</div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
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Actually, the message error is quite self-explanatory: <span style="color:rgb(32,31,30);font-family:Calibri,sans-serif;font-size:14.6667px;background-color:rgb(255,255,255);display:inline!important">This module file was not generated by any release of
this compiler.</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt">If you compile QE with intel compiler, libxc needs to be too.</span><br>
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<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt">New to libxc too, and I just got the same prob</span><span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt">lem
yesterday. However, I used the latest version of libxc (5.1.0).</span><br>
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<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
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<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
Best,</div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
Xavier</div>
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<div id="m_-1979477320462952921m_-5441186055088267224divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <<a href="mailto:users-bounces@lists.quantum-espresso.org" rel="noreferrer noreferrer" target="_blank">users-bounces@lists.quantum-espresso.org</a>> on behalf of Hien Vo <<a href="mailto:hvo@uchicago.edu" rel="noreferrer noreferrer" target="_blank">hvo@uchicago.edu</a>><br>
<b>Sent:</b> Friday, January 29, 2021 10:32 AM<br>
<b>To:</b> <a href="mailto:users@lists.quantum-espresso.org" rel="noreferrer noreferrer" target="_blank">users@lists.quantum-espresso.org</a> <<a href="mailto:users@lists.quantum-espresso.org" rel="noreferrer noreferrer" target="_blank">users@lists.quantum-espresso.org</a>><br>
<b>Subject:</b> [QE-users] Trouble installing the QE 6.6 with libxc-4.2.3 / libxc-3.0.1</font>
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<p>Hello,</p>
<p> </p>
<p>I recently tried to install QE 6.6 with libxc versions older than 5.0.0 by doing the following to the make.inc file:</p>
<p> </p>
<ul type="disc" style="margin-top:0in">
<li style="margin-left:0in">Add -D__LIBXC to DFLAGS</li><li style="margin-left:0in">Add -I/$(LBXC_DIR)/include/ to IFLAGS</li><li style="margin-left:0in">Set LD_LIBS=-L/$(LIBXC_DIR)/libxc/lib/ -lxf03 -lxc</li></ul>
<p> </p>
<p>For both versions of the libxc (4.2.3 and 3.0.1) I got the errors below. Any input is greatly appreciated.
</p>
<p> </p>
<p> </p>
<p>funct.f90(40): error #7013: This module file was not generated by any release of this compiler. [XC_F03_LIB_M]</p>
<p> USE xc_f03_lib_m</p>
<p>------^</p>
<p>funct.f90(359): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP):: exx_fraction = 0.0_DP</p>
<p>-------^</p>
<p>funct.f90(360): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP):: screening_parameter = 0.0_DP</p>
<p>-------^</p>
<p>funct.f90(361): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP):: gau_parameter = 0.0_DP</p>
<p>-------^</p>
<p>funct.f90(371): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP):: finite_size_cell_volume = notset</p>
<p>-------^</p>
<p>funct.f90(359): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [DP]</p>
<p> REAL(DP):: exx_fraction = 0.0_DP</p>
<p>-------------------------------^</p>
<p>funct.f90(359): error #6975: A kind-param must be a digit-string or a scalar-int-constant-name. [DP]</p>
<p> REAL(DP):: exx_fraction = 0.0_DP</p>
<p>-------------------------------^</p>
<p>funct.f90(360): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [DP]</p>
<p> REAL(DP):: screening_parameter = 0.0_DP</p>
<p>--------------------------------------^</p>
<p>funct.f90(360): error #6975: A kind-param must be a digit-string or a scalar-int-constant-name. [DP]</p>
<p> REAL(DP):: screening_parameter = 0.0_DP</p>
<p>--------------------------------------^</p>
<p>funct.f90(361): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [DP]</p>
<p> REAL(DP):: gau_parameter = 0.0_DP</p>
<p>--------------------------------^</p>
<p>funct.f90(361): error #6975: A kind-param must be a digit-string or a scalar-int-constant-name. [DP]</p>
<p> REAL(DP):: gau_parameter = 0.0_DP</p>
<p>--------------------------------^</p>
<p>funct.f90(428): error #6457: This derived type name has not been declared. [XC_F03_FUNC_T]</p>
<p> TYPE(xc_f03_func_t) :: xc_func03</p>
<p>---------^</p>
<p>funct.f90(429): error #6457: This derived type name has not been declared. [XC_F03_FUNC_INFO_T]</p>
<p> TYPE(xc_f03_func_info_t) :: xc_info03</p>
<p>---------^</p>
<p>funct.f90(921): error #6457: This derived type name has not been declared. [XC_F03_FUNC_T]</p>
<p> TYPE(xc_f03_func_t) :: xc_func</p>
<p>---------^</p>
<p>funct.f90(922): error #6457: This derived type name has not been declared. [XC_F03_FUNC_INFO_T]</p>
<p> TYPE(xc_f03_func_info_t) :: xc_info</p>
<p>---------^</p>
<p>funct.f90(1277): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP) :: exxf_</p>
<p>----------^</p>
<p>funct.f90(1284): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP):: scrparm_</p>
<p>----------^</p>
<p>funct.f90(1291): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP):: get_screening_parameter</p>
<p>----------^</p>
<p>funct.f90(1298): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP):: gauparm_</p>
<p>----------^</p>
<p>funct.f90(1305): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP):: get_gau_parameter</p>
<p>----------^</p>
<p>funct.f90(1371): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP) :: get_exx_fraction</p>
<p>----------^</p>
<p>funct.f90(1427): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP), INTENT(OUT) :: volume</p>
<p>----------^</p>
<p>funct.f90(1438): error #6457: This derived type name has not been declared. [XC_F03_FUNC_INFO_T]</p>
<p> TYPE(xc_f03_func_info_t) :: xc_info</p>
<p>----------^</p>
<p>funct.f90(1693): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP), INTENT(IN) :: rho_valence(:,:), rho_core(:)</p>
<p>-------^</p>
<p>funct.f90(1695): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP), INTENT(INOUT) :: v(:,:)</p>
<p>-------^</p>
<p>funct.f90(1696): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p> REAL(DP), INTENT(INOUT) :: enl, vnl</p>
<p>-------^</p>
<p>funct.f90(36): error #6580: Name in only-list does not exist or is not accessible. [STDOUT]</p>
<p> USE io_global, ONLY: stdout, ionode</p>
<p>-------------------------^</p>
<p>funct.f90(36): error #6580: Name in only-list does not exist or is not accessible. [IONODE]</p>
<p> USE io_global, ONLY: stdout, ionode</p>
<p>---------------------------------^</p>
<p>funct.f90(359): error #6404: This name does not have a type, and must have an explicit type. [DP]</p>
<p> REAL(DP):: exx_fraction = 0.0_DP</p>
<p>-------------------------------^</p>
<p>/tmp/ifortSKHzIM.i90(1750): catastrophic error: Too many errors, exiting</p>
<p>compilation aborted for funct.f90 (code 1)</p>
<p>make[1]: *** [funct.o] Error 1</p>
<p>make[1]: Leaving directory `/home/hvo/software/qe-6.6-libxc/Modules'</p>
<p>make: *** [mods] Error 1</p>
<p> </p>
<p>Best,</p>
<p> </p>
<p><a href="https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgalligroup.uchicago.edu%2FPeople%2Fhvo.php&data=04%7C01%7Cxavbdlt%40uic.edu%7Cef8e43423ec84c9bcebf08d8c473882c%7Ce202cd477a564baa99e3e3b71a7c77dd%7C0%7C0%7C637475348977481904%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=ChKehoV3yNABVYlMygbCc3%2B5b28aj3wiA4MNi8qnCXs%3D&reserved=0" rel="noreferrer noreferrer" target="_blank">Hien
Vo</a></p>
<p>PhD Candidate</p>
<p>Chemistry Department | The University of Chicago</p>
<p> </p>
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