ABINIT Discussion Forums

Posted: **Tue Sep 15, 2015 11:40 am**

Dear all,

When I am compiling the newest version code of abinit 7.10.4, getting the errors followed below,

../../src/41_xc_lowlevel/lib41_xc_lowlevel.a(libxc_tools.o): In function `xc_f90_functional_get_name_':
/export1/home/maofei/src/abinit-7.10.4/src/41_xc_lowlevel/libxc_tools.c:41: undefined reference to `xc_functional_get_name'
../../src/41_xc_lowlevel/lib41_xc_lowlevel.a(libxc_tools.o): In function `xc_f90_functional_get_number_':
/export1/home/maofei/src/abinit-7.10.4/src/41_xc_lowlevel/libxc_tools.c:60: undefined reference to `xc_functional_get_number'
make[3]: *** [abinit] Error 1
make[3]: Leaving directory `/export1/home/maofei/src/abinit-7.10.4/src/98_main'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/export1/home/maofei/src/abinit-7.10.4/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/export1/home/maofei/src/abinit-7.10.4'
make: *** [all] Error 2

The fortran compile is intel 13.1, FFTW-3.22. Actually, I have tried with several versions of ifort (ifort 11.1, ifort 15.0), but the same errors are always here. I don’t think this problem has anything to do with the fortran compiler.

So, what is cause for the error and how to fix it. Any comment or suggestion is appreciated.

Regards
Evan
USC

Posted: **Tue Sep 15, 2015 8:41 pm**

the problem is related to the libxc library...

are you sure that the libxc is well compiled ?

I see that you specified the location of a libxc library :

Code: Select all

--with-libxc-incs=-I/export1/home/maofei/opt/lixc-2.02/include 
--with-libxc-libs=-L/export1/home/maofei/opt/lixc-2.02/lib  -lxc

is it compiled with the same version of compiler and with the same options ?!?

firstly, try with :

Code: Select all

./configure --prefix=/export1/home/maofei/opt/abinit_v7.10/sopt2 \
FC=ifort CC=icc CXX=icpc \
--with-linalg-flavor=mkl --with-linalg-libs=-L/export1/home/maofei/intel13/composer_xe_2013.5.192/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group \
--with-trio-flavor=netcdf+etsf_io \
--with-dft-flavor=libxc

jmb

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