Ok, so I think you should locate the headers first, to see if they are in place (locate the file xc_f03_lib_m.mod). They should be in a libxc folder named 'include'. If they are not available there might be some problems in the installation/arrangement of the libxc folders. Cheers, Fabrizio
On Wed, Dec 30, 2020 at 2:46 PM mkondrin <mkond...@hppi.troitsk.ru> wrote: > Hi, Fabrizio, > > Thank you for your reply, I have follow your suggestion but with no > avail. The compilation stopped with a message : > cannot find -lxcf03 > > Sincerely yours, > Mikhail Kondrin > > On 30.12.2020 17:30, Fabrizio Ferrari wrote: > > Hello, > > did you check the notes in section 2.5.1 of the user_guide (Doc folder)? > > WIth version 4.3.4 is better to use the flag -lxcf03 for the headers in > > make.inc. > > Cheers, > > Fabrizio > > > > On Wed, Dec 30, 2020 at 1:01 PM mkondrin <mkond...@hppi.troitsk.ru> > wrote: > > > >> When I have tried another way (editing make.inc file after simple > >> ./configure) make command stops with error: > >> > >> /usr/lib//libxc.so: undefined reference to `xc_erfcx' > >> > >> So it seems to be a fault of libxc. > >> > >> Sincerely yours, > >> Mikhail Kondrin > >> > >> On 30.12.2020 14:54, mkondrin wrote: > >>> Dear QE developers and users, > >>> > >>> I have tried to compile QE with libxc support but have failed. > >>> > >>> libxc (4.3.4) was configured and 'make installed' with > >>> ./configure --enable-shared=yes --prefix=/usr/lib > >>> > >>> in /usr/lib all required libraries are present: > >>> $ls /usr/lib/libxc* > >>> /usr/lib/libxc.a /usr/lib/libxc.so.9.0.0* /usr/lib/libxcf90.so.9@ > >>> /usr/lib/libxc.la* /usr/lib/libxcf90.a /usr/lib/libxcf90.so.9.0.0* > >>> /usr/lib/libxc.so@ /usr/lib/libxcf90.la* > >>> /usr/lib/libxc.so.9@ /usr/lib/libxcf90.so@ > >>> > >>> > >>> QE (6.5.0) was configured with command: > >>> ./configure --with-libxc --with-libxc-prefix=/usr/ > >>> BLAS_LIBS="-lsatlas" LAPACK_LIBS="-lsatlas" > >>> > >>> but complains and exits with the message: > >>> > >>> checking for libxc... no (-I/usr/include -L/usr/lib -lxcf90 -lxc) > >>> configure: error: Could not find required libxc library. > >>> > >>> I could not figure what went wrong. > >>> > >>> Thank you in advance for any suggestions. > >>> > >>> Sincerely yours, > >>> Mikhail Kondrin > >>> _______________________________________________ > >>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > >>> users mailing list users@lists.quantum-espresso.org > >>> https://lists.quantum-espresso.org/mailman/listinfo/users > >>> > >> _______________________________________________ > >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > >> users mailing list users@lists.quantum-espresso.org > >> https://lists.quantum-espresso.org/mailman/listinfo/users > >> > > > > > > _______________________________________________ > > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > > users mailing list users@lists.quantum-espresso.org > > https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users >
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