On 30.12.2020 18:13, mkondrin wrote:
$ls /usr/include/xc*
xc.h xc_f90_lib_m.mod xc_funcs.h xc_funcs_removed.h
xc_funcs_worker.h xc_version.h xcb/
xc_90... is in place, xc_f03.. is nowhere to be found.
I believe that this is an error in libxc library. I have also tried
its latest version (libxc-5.0). When building it as shared library the
compilation also stops with error about something like "xc_erfcx not
found" (for static library only there was no such an error).
Sincerely yours,
Mikhail Kondrin
Hello!
It turns out that my system is too old. On the newer system libxc-5.0.0
compiles OK.
Sincerely yours,
Mikhail Kondrin
On 30.12.2020 18:02, Fabrizio Ferrari wrote:
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 <[email protected]>
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 <[email protected]>
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
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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
