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