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Hello,</div>
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<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>
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<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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<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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<br>
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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="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Hien Vo <hvo@uchicago.edu><br>
<b>Sent:</b> Friday, January 29, 2021 10:32 AM<br>
<b>To:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><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 class="x_MsoNormal">Hello,</p>
<p class="x_MsoNormal"> </p>
<p class="x_MsoNormal">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 class="x_MsoNormal"> </p>
<ul type="disc" style="margin-top:0in">
<li class="x_MsoListParagraph" style="margin-left:0in">Add -D__LIBXC to DFLAGS</li><li class="x_MsoListParagraph" style="margin-left:0in">Add -I/$(LBXC_DIR)/include/ to IFLAGS</li><li class="x_MsoListParagraph" style="margin-left:0in">Set LD_LIBS=-L/$(LIBXC_DIR)/libxc/lib/ -lxf03 -lxc</li></ul>
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<p class="x_MsoNormal">For both versions of the libxc (4.2.3 and 3.0.1) I got the errors below. Any input is greatly appreciated.
</p>
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<p class="x_MsoNormal"> </p>
<p class="x_MsoNormal">funct.f90(40): error #7013: This module file was not generated by any release of this compiler. [XC_F03_LIB_M]</p>
<p class="x_MsoNormal"> USE xc_f03_lib_m</p>
<p class="x_MsoNormal">------^</p>
<p class="x_MsoNormal">funct.f90(359): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: exx_fraction = 0.0_DP</p>
<p class="x_MsoNormal">-------^</p>
<p class="x_MsoNormal">funct.f90(360): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: screening_parameter = 0.0_DP</p>
<p class="x_MsoNormal">-------^</p>
<p class="x_MsoNormal">funct.f90(361): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: gau_parameter = 0.0_DP</p>
<p class="x_MsoNormal">-------^</p>
<p class="x_MsoNormal">funct.f90(371): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: finite_size_cell_volume = notset</p>
<p class="x_MsoNormal">-------^</p>
<p class="x_MsoNormal">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 class="x_MsoNormal"> REAL(DP):: exx_fraction = 0.0_DP</p>
<p class="x_MsoNormal">-------------------------------^</p>
<p class="x_MsoNormal">funct.f90(359): error #6975: A kind-param must be a digit-string or a scalar-int-constant-name. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: exx_fraction = 0.0_DP</p>
<p class="x_MsoNormal">-------------------------------^</p>
<p class="x_MsoNormal">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 class="x_MsoNormal"> REAL(DP):: screening_parameter = 0.0_DP</p>
<p class="x_MsoNormal">--------------------------------------^</p>
<p class="x_MsoNormal">funct.f90(360): error #6975: A kind-param must be a digit-string or a scalar-int-constant-name. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: screening_parameter = 0.0_DP</p>
<p class="x_MsoNormal">--------------------------------------^</p>
<p class="x_MsoNormal">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 class="x_MsoNormal"> REAL(DP):: gau_parameter = 0.0_DP</p>
<p class="x_MsoNormal">--------------------------------^</p>
<p class="x_MsoNormal">funct.f90(361): error #6975: A kind-param must be a digit-string or a scalar-int-constant-name. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: gau_parameter = 0.0_DP</p>
<p class="x_MsoNormal">--------------------------------^</p>
<p class="x_MsoNormal">funct.f90(428): error #6457: This derived type name has not been declared. [XC_F03_FUNC_T]</p>
<p class="x_MsoNormal"> TYPE(xc_f03_func_t) :: xc_func03</p>
<p class="x_MsoNormal">---------^</p>
<p class="x_MsoNormal">funct.f90(429): error #6457: This derived type name has not been declared. [XC_F03_FUNC_INFO_T]</p>
<p class="x_MsoNormal"> TYPE(xc_f03_func_info_t) :: xc_info03</p>
<p class="x_MsoNormal">---------^</p>
<p class="x_MsoNormal">funct.f90(921): error #6457: This derived type name has not been declared. [XC_F03_FUNC_T]</p>
<p class="x_MsoNormal"> TYPE(xc_f03_func_t) :: xc_func</p>
<p class="x_MsoNormal">---------^</p>
<p class="x_MsoNormal">funct.f90(922): error #6457: This derived type name has not been declared. [XC_F03_FUNC_INFO_T]</p>
<p class="x_MsoNormal"> TYPE(xc_f03_func_info_t) :: xc_info</p>
<p class="x_MsoNormal">---------^</p>
<p class="x_MsoNormal">funct.f90(1277): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP) :: exxf_</p>
<p class="x_MsoNormal">----------^</p>
<p class="x_MsoNormal">funct.f90(1284): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: scrparm_</p>
<p class="x_MsoNormal">----------^</p>
<p class="x_MsoNormal">funct.f90(1291): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: get_screening_parameter</p>
<p class="x_MsoNormal">----------^</p>
<p class="x_MsoNormal">funct.f90(1298): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: gauparm_</p>
<p class="x_MsoNormal">----------^</p>
<p class="x_MsoNormal">funct.f90(1305): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: get_gau_parameter</p>
<p class="x_MsoNormal">----------^</p>
<p class="x_MsoNormal">funct.f90(1371): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP) :: get_exx_fraction</p>
<p class="x_MsoNormal">----------^</p>
<p class="x_MsoNormal">funct.f90(1427): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP), INTENT(OUT) :: volume</p>
<p class="x_MsoNormal">----------^</p>
<p class="x_MsoNormal">funct.f90(1438): error #6457: This derived type name has not been declared. [XC_F03_FUNC_INFO_T]</p>
<p class="x_MsoNormal"> TYPE(xc_f03_func_info_t) :: xc_info</p>
<p class="x_MsoNormal">----------^</p>
<p class="x_MsoNormal">funct.f90(1693): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP), INTENT(IN) :: rho_valence(:,:), rho_core(:)</p>
<p class="x_MsoNormal">-------^</p>
<p class="x_MsoNormal">funct.f90(1695): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP), INTENT(INOUT) :: v(:,:)</p>
<p class="x_MsoNormal">-------^</p>
<p class="x_MsoNormal">funct.f90(1696): error #6683: A kind type parameter must be a compile-time constant. [DP]</p>
<p class="x_MsoNormal"> REAL(DP), INTENT(INOUT) :: enl, vnl</p>
<p class="x_MsoNormal">-------^</p>
<p class="x_MsoNormal">funct.f90(36): error #6580: Name in only-list does not exist or is not accessible. [STDOUT]</p>
<p class="x_MsoNormal"> USE io_global, ONLY: stdout, ionode</p>
<p class="x_MsoNormal">-------------------------^</p>
<p class="x_MsoNormal">funct.f90(36): error #6580: Name in only-list does not exist or is not accessible. [IONODE]</p>
<p class="x_MsoNormal"> USE io_global, ONLY: stdout, ionode</p>
<p class="x_MsoNormal">---------------------------------^</p>
<p class="x_MsoNormal">funct.f90(359): error #6404: This name does not have a type, and must have an explicit type. [DP]</p>
<p class="x_MsoNormal"> REAL(DP):: exx_fraction = 0.0_DP</p>
<p class="x_MsoNormal">-------------------------------^</p>
<p class="x_MsoNormal">/tmp/ifortSKHzIM.i90(1750): catastrophic error: Too many errors, exiting</p>
<p class="x_MsoNormal">compilation aborted for funct.f90 (code 1)</p>
<p class="x_MsoNormal">make[1]: *** [funct.o] Error 1</p>
<p class="x_MsoNormal">make[1]: Leaving directory `/home/hvo/software/qe-6.6-libxc/Modules'</p>
<p class="x_MsoNormal">make: *** [mods] Error 1</p>
<p class="x_MsoNormal"> </p>
<p class="x_MsoNormal">Best,</p>
<p class="x_MsoNormal"> </p>
<p class="x_MsoNormal"><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" originalsrc="https://galligroup.uchicago.edu/People/hvo.php" shash="spYTdk4itkSfnJ8jfzTWRx5rJq3AtXUNIz3hMp6dckOnTBilY9MpVM2l4sAOaVT75hYi8KQ1Wr0gfSrBACB7l8gsJ7AAVF8dar9OG+LLkcd3VOyXxuWP3T8yciQGsXCUTXy+t+cANnPvUBVyubfHYRJbzxq+GhzezAP1uJLoqb0=">Hien
Vo</a></p>
<p class="x_MsoNormal">PhD Candidate</p>
<p class="x_MsoNormal">Chemistry Department | The University of Chicago</p>
<p class="x_MsoNormal"> </p>
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