<div dir="ltr"><div dir="ltr"><div dir="ltr"><div>Sir, I am unable to compile libxc any 4.x ./configure FC= ifort CC=icc but they can be easily compiled with the help of autoconfiguration ./ configure with ifort and icc getting the following error <br></div><div>configure: error: in `/home/dps/libxc-4.1.1':<br>configure: error: C compiler cannot create executables<br>See `config.log' for more details</div><div><br></div><div>Also unable to install ELPA<br></div></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, May 25, 2019 at 6:08 PM Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</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 bgcolor="#FFFFFF">
<p>As the error message says, the <font color="#009900">libxc
library</font> was compiled with a different compiler. Perhaps
you compiled it with gfortran (FC=gfortran). Recompile it with
ifort [
<a class="gmail-m_1231250512637798928gmail-m_3152971298013625802moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17716.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17716.html</a>
].<br>
</p>
<p>WIEN2k versions after 17 can use the 4.x version of libxc [
<a class="gmail-m_1231250512637798928gmail-m_3152971298013625802moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16924.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16924.html</a>
]. I haven't tried the latest released 4.3.4. If issues are
encountered compiling WIEN2k with it, fallback on an earlier 4.x
version [ <a class="gmail-m_1231250512637798928gmail-m_3152971298013625802moz-txt-link-freetext" href="https://tddft.org/programs/libxc/download/previous/" target="_blank">https://tddft.org/programs/libxc/download/previous/</a> ].<br>
</p>
<p>It also says that it cannot find <font color="#6600cc">FFTW3 mpi</font>.
The fftw3 operating system package (such as installed by apt or
yum) usually only works for gfortran and non-mpi. The FFTW can
be downloaded [ <a class="gmail-m_1231250512637798928gmail-m_3152971298013625802moz-txt-link-freetext" href="http://www.fftw.org/download.html" target="_blank">http://www.fftw.org/download.html</a> ] and ifort
compiled with --enable-mpi [
<a class="gmail-m_1231250512637798928gmail-m_3152971298013625802moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16746.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16746.html</a>
].<br>
</p>
<p><br>
</p>
<div class="gmail-m_1231250512637798928gmail-m_3152971298013625802moz-cite-prefix">On 5/25/2019 2:55 AM, Indranil mal
wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div>... <br>
</div>
<div>I got the error <br>
</div>
<div><br>
</div>
<div>SRC_lapw0/compile.msg:inputpars.F(6): error #7013: <font color="#009900">This module file was not generated by any
release of this compiler. [XC_F03_LIB_M]</font></div>
SRC_lapw0/compile.msg:inputpars.F(17): error #6457: This derived
type name has not been declared. [XC_F03_FUNC_T]<br>
...<br>
SRC_lapw0/compile.msg:/tmp/ifort1JKsyy.i(862): catastrophic
error: Too many errors, exiting<br>
<br>
SRC_lapw0/compile.msg:make[1]: *** [inputpars.o] Error 1<br>
SRC_lapw0/compile.msg:make: *** [para] Error 2<br>
SRC_lapw2/compile.msg:make[1]: *** [lapw2_mpi] Error 1<br>
SRC_lapw2/compile.msg:make: *** [rp] Error 2<br>
SRC_lapw2/compile.msg:make[1]: *** [lapw2c_mpi] Error 1<br>
SRC_lapw2/compile.msg:make: *** [cp] Error 2<br>
SRC_nlvdw/compile.msg:fft_modules.F(69): error #5102: <font color="#6600cc">Cannot open include file 'fftw3-mpi.f03'</font><br>
SRC_nlvdw/compile.msg:fft_modules.F(86): error #6404: This name
does not have a type, and must have an explicit type.
[FFTW_MPI_LOCAL_SIZE_3D]<br>
SRC_nlvdw/compile.msg:fft_modules.F(89): error #6404: This name
does not have a type, and must have an explicit type.
[FFTW_ALLOC_COMPLEX]<br>
SRC_nlvdw/compile.msg:fft_modules.F(120): error #6404: This name
does not have a type, and must have an explicit type.
[FFTW_FORWARD]<br>
SRC_nlvdw/compile.msg:fft_modules.F(121): error #6404: This name
does not have a type, and must have an explicit type.
[FFTW_ESTIMATE]<br>
SRC_nlvdw/compile.msg:fft_modules.F(117): error #6404: This name
does not have a type, and must have an explicit type.
[FFTW_MPI_PLAN_DFT_3D]<br>
SRC_nlvdw/compile.msg:fft_modules.F(125): error #6404: This name
does not have a type, and must have an explicit type.
[FFTW_BACKWARD]<br>
SRC_nlvdw/compile.msg:fft_modules.F(133): error #6601: In a CASE
statement, the case-value must be a constant expression.
[FFTW_FORWARD]<br>
SRC_nlvdw/compile.msg:fft_modules.F(133): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or
LOGICAL. [FFTW_FORWARD]<br>
SRC_nlvdw/compile.msg:fft_modules.F(133): error #6611: The
case-value must be of the same type as the case-expr.
[FFTW_FORWARD]<br>
SRC_nlvdw/compile.msg:fft_modules.F(135): error #6601: In a CASE
statement, the case-value must be a constant expression.
[FFTW_BACKWARD]<br>
SRC_nlvdw/compile.msg:fft_modules.F(135): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or
LOGICAL. [FFTW_BACKWARD]<br>
SRC_nlvdw/compile.msg:fft_modules.F(135): error #6611: The
case-value must be of the same type as the case-expr.
[FFTW_BACKWARD]<br>
SRC_nlvdw/compile.msg:make[1]: *** [fft_modules.o] Error 1<br>
SRC_nlvdw/compile.msg:make: *** [para] Error 2<br>
SRC_nmr/compile.msg:make[1]: *** [nmr_mpi] Error 1<br>
SRC_nmr/compile.msg:make: *** [rp] Error 2<br>
SRC_nmr/compile.msg:make[1]: *** [nmrc_mpi] Error 1<br>
<div>SRC_nmr/compile.msg:make: *** [cp] Error 2</div>
<div><br>
</div>
<div>please help<br>
</div>
</div>
</blockquote>
<blockquote type="cite"></blockquote>
</div>
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