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<p>it can also help to run</p>
<p><br>
</p>
<p>autoreconf -if <br>
</p>
<p><br>
</p>
<p>before running the configure script, especially because the 7.0.0
archive does not contain the configure script by default and it
has to be generated.<br>
</p>
<p><br>
</p>
<p>Best regards,</p>
<p>Michael</p>
<p><br>
</p>
<div class="moz-cite-prefix">Am 14.02.2025 um 13:03 schrieb Jan
Doumont:<br>
</div>
<blockquote type="cite"
cite="mid:20317e17-5558-406a-ba6e-f5e16dc52b3f@tuwien.ac.at">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<div class="moz-cite-prefix">Dear Banashree,</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">According to the libxc changelog
there were some changes in the Fortran interface in Libxc 7.0.0
compared to the last 6.x version:</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix"><a class="moz-txt-link-freetext"
href="https://libxc.gitlab.io/changes/" moz-do-not-send="true">https://libxc.gitlab.io/changes/</a></div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">Possibly/probably this is the cause
of the issue. The current Wien2k was released before libxc
7.0.0. Could you try with libxc 6.x?</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">BW</div>
<div class="moz-cite-prefix">Jan Doumont<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 14.02.25 12:23, Banashree
Sadhukhan wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAAXsP-C=orPzjDWprTc+hpEZpa-OyMjOyQTmVRmm7g_=U2K70g@mail.gmail.com">
<meta http-equiv="Content-Type"
content="text/html; charset=UTF-8">
<div dir="ltr">
<div>Dear WIEN2k user,</div>
<div>Â </div>
<div>"make clean" before "make" works. Still have errors in
SRC_lapw0/compile.msg file. Please suggest how to fix it.
Thank you.</div>
<div><br>
</div>
<div>------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------</div>
<div>ld: libxc_mod.o: in function `libxc_mod_mp_libxc_end_':<br>
libxc_mod.F:(.text+0x67): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_end_'<br>
ld: libxc_mod.F:(.text+0xc2): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_end_'<br>
ld: libxc_mod.o: in function `libxc_mod_mp_libxc_init_':<br>
libxc_mod.F:(.text+0x15b): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'<br>
ld: libxc_mod.F:(.text+0x16f): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'<br>
ld: libxc_mod.F:(.text+0x18a): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'<br>
ld: libxc_mod.F:(.text+0x19e): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'<br>
ld: libxc_mod.F:(.text+0x1d9): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_set_ext_params_'<br>
ld: libxc_mod.F:(.text+0x1e7): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_get_info_'<br>
ld: libxc_mod.F:(.text+0x200): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_get_info_'<br>
ld: libxc_mod.F:(.text+0x215): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'<br>
ld: libxc_mod.F:(.text+0x225): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'<br>
ld: inputpars.o: in function `inputpars_':<br>
inputpars.F:(.text+0x1f04): undefined reference to
`xc_f03_lib_m_mp_xc_f03_version_'<br>
ld: inputpars.F:(.text+0x69c5): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_set_ext_params_'<br>
ld: inputpars.F:(.text+0x70bb): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'<br>
ld: inputpars.F:(.text+0x70d9): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_get_info_'<br>
ld: inputpars.F:(.text+0x70f1): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'<br>
ld: inputpars.F:(.text+0x7101): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_family_'<br>
ld: inputpars.F:(.text+0x7478): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'<br>
ld: inputpars.F:(.text+0x7489): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_get_info_'<br>
ld: inputpars.F:(.text+0x74ae): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'<br>
ld: inputpars.F:(.text+0x74be): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_family_'<br>
ld: libxc.o: in function `libxc_':<br>
libxc.F:(.text+0x141): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_number_'<br>
ld: libxc.F:(.text+0x15f): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_family_'<br>
ld: libxc.F:(.text+0x210): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_exc_vxc_'<br>
ld: libxc.F:(.text+0x248): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_fxc_'<br>
ld: libxc.F:(.text+0x34b): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_vxc_'<br>
ld: libxc.F:(.text+0x500): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_exc_vxc_'<br>
ld: libxc.F:(.text+0x57f): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_fxc_'<br>
ld: libxc.F:(.text+0x697): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_vxc_'<br>
ld: libxc.F:(.text+0x6f9): undefined reference to
`xc_f03_lib_m_mp_xc_f03_lda_exc_vxc_'<br>
ld: libxc.F:(.text+0x738): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_family_'<br>
ld: libxc.F:(.text+0xab5): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_exc_vxc_'<br>
ld: libxc.F:(.text+0xaed): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_fxc_'<br>
ld: libxc.F:(.text+0xdba): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_vxc_'<br>
ld: libxc.F:(.text+0x1276): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_exc_vxc_'<br>
ld: libxc.F:(.text+0x1305): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_fxc_'<br>
ld: libxc.F:(.text+0x1696): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_vxc_'<br>
ld: libxc.F:(.text+0x16fa): undefined reference to
`xc_f03_lib_m_mp_xc_f03_lda_exc_vxc_'<br>
make[1]: *** [Makefile:136: lapw0] Error 1<br>
make[1]: Leaving directory
'/home/banasree/Packages/WIEN2k24/SRC_lapw0'<br>
make: *** [Makefile:125: seq] Error 2<br>
make: *** No rule to make target 'complex'. Stop.</div>
<div>------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------</div>
<div><br>
</div>
<div><br>
</div>
</div>
<br>
<div class="gmail_quote gmail_quote_container">
<div dir="ltr" class="gmail_attr">On Thu, Feb 13, 2025 at
10:05 AM Banashree Sadhukhan <<a
href="mailto:banasree.sadhukhan@gmail.com"
moz-do-not-send="true" class="moz-txt-link-freetext">banasree.sadhukhan@gmail.com</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">
<div dir="ltr">
<div>Dear Executive,</div>
<div><br>
</div>
<div>I am registered usur of WIEN2K (WIEN2k_24.1)
with Registration-ID WIEN2k-3897. I got some errors due
to libxc (./siteconfig_lapw) which I could not be able
to short out by watching the installation video and
previous mailing list (<a
href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2024-March/033734.html"
target="_blank" moz-do-not-send="true"
class="moz-txt-link-freetext">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2024-March/033734.html</a>).
I installed libxc-7.0.0 and installed it with ifort, but
still got an error message (paste the error below). I
also attached compile.msg for your convenience. May I
request your suggestion to fix it? Otherwise I would not
be able to install it. Thank you.</div>
<div><br>
</div>
<div>***********************************************************************</div>
<div>Error message :</div>
<div><br>
</div>
<div>Compile time errors (if any) were:<br>
SRC_lapw0/compile.msg:libxc_mod.F(4): error #7013: This
module file was not generated by any release of this
compiler. Â [XC_F03_LIB_M]<br>
SRC_lapw0/compile.msg:libxc_mod.F(9): error #6457: This
derived type name has not been declared. Â
[XC_F03_FUNC_T]<br>
SRC_lapw0/compile.msg:libxc_mod.F(10): error #6457: This
derived type name has not been declared. Â
[XC_F03_FUNC_INFO_T]<br>
SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name
in only-list does not exist or is not accessible. Â
[XCCONST]<br>
SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name
in only-list does not exist or is not accessible. Â
[VX_SWITCH]<br>
SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name
in only-list does not exist or is not accessible. Â
[VC_SWITCH]<br>
SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name
in only-list does not exist or is not accessible. Â
[EX_SWITCH]<br>
SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name
in only-list does not exist or is not accessible. Â
[EC_SWITCH]<br>
SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This
name does not have a type, and must have an explicit
type. Â [XC_FUNC_X]<br>
SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This
name does not have a type, and must have an explicit
type. Â [XC_UNPOLARIZED]<br>
SRC_lapw0/compile.msg:libxc_mod.F(23): error #6404: This
name does not have a type, and must have an explicit
type. Â [XC_FUNC_C]<br>
SRC_lapw0/compile.msg:libxc_mod.F(25): error #6404: This
name does not have a type, and must have an explicit
type. Â [XC_POLARIZED]<br>
SRC_lapw0/compile.msg:libxc_mod.F(34): error #6404: This
name does not have a type, and must have an explicit
type. Â [XCCONST]<br>
SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This
name does not have a type, and must have an explicit
type. Â [XC_INFO_C]<br>
SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This
name does not have a type, and must have an explicit
type. Â [XC_F03_FUNC_GET_INFO]<br>
SRC_lapw0/compile.msg:libxc_mod.F(39): error #6404: This
name does not have a type, and must have an explicit
type. Â [XC_INFO_X]<br>
SRC_lapw0/compile.msg:libxc_mod.F(40): error #6404: This
name does not have a type, and must have an explicit
type. Â [XC_F03_FUNC_INFO_GET_FLAGS]<br>
SRC_lapw0/compile.msg:libxc_mod.F(56): error #6404: This
name does not have a type, and must have an explicit
type. Â [VC_SWITCH]<br>
SRC_lapw0/compile.msg:libxc_mod.F(56): error #6404: This
name does not have a type, and must have an explicit
type. Â [EC_SWITCH]<br>
SRC_lapw0/compile.msg:libxc_mod.F(57): error #6404: This
name does not have a type, and must have an explicit
type. Â [VX_SWITCH]<br>
</div>
<div><br>
</div>
<div><br>
</div>
<div>***********************************************************************<br>
 Current settings:<br>
 M  OpenMP switch:      -qopenmp<br>
 O  Compiler options:     -O -FR -mp1 -w -prec_div
-pc80 -pad -ip -DINTEL_VML -traceback -assume
buffered_io -I$(MKLROOT)/include<br>
 L  Linker Flags:       $(FOPT)
-L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -lpthread -lm -ldl
-liomp5<br>
 P  Preprocessor flags    '-DParallel'<br>
 R  R_LIBS (LAPACK+BLAS):   -lmkl_intel_lp64
-lmkl_intel_thread -lmkl_core<br>
 F  FFTW options:       -DFFTW3 -DFFTW_OMP
-I/usr/local/include<br>
   FFTW-LIBS:        -L/usr/local/lib -lfftw3
-lfftw3_omp<br>
 X  LIBX options:       -DLIBXC
-I/usr/local/include<br>
   LIBXC-LIBS:        -L/usr/local/lib -lxcf03
-lxc<br>
***********************************************************************</div>
<div><br>
</div>
<div>Best regards,</div>
<div>Banasree</div>
<br>
</div>
</blockquote>
</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre wrap="" class="moz-quote-pre">_______________________________________________
Wien mailing list
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href="mailto:Wien@zeus.theochem.tuwien.ac.at"
moz-do-not-send="true">Wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-freetext"
href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien"
moz-do-not-send="true">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a>
SEARCH the MAILING-LIST at: <a class="moz-txt-link-freetext"
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</pre>
</blockquote>
<p><br>
</p>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre wrap="" class="moz-quote-pre">_______________________________________________
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</pre>
</blockquote>
<pre class="moz-signature" cols="72">--
Dr. Michael Fechtelkord
Institut für Geologie, Mineralogie und Geophysik
Ruhr-Universität Bochum
Universitätsstr. 150
D-44780 Bochum
Phone: +49 (234) 32-24380
Fax: +49 (234) 32-04380
Email: <a class="moz-txt-link-abbreviated" href="mailto:Michael.Fechtelkord@ruhr-uni-bochum.de">Michael.Fechtelkord@ruhr-uni-bochum.de</a>
Web Page: <a class="moz-txt-link-freetext" href="https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/">https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/</a>
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