Warning: size of symbol

[Alfio Lazzaro]

Hi,
this is actually a warning during the linking phase.
If I remember correctly, the problem comes from the fact that you have used 
different values from the maximum angular momentum when 
compiling LIBINT with respect to what you are using in the CP2K arch file 
(-D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6).
You can look at the INSTALL file in CP2K:

==== 2g. LIBINT (optional, enables methods including HF exchange)  ====
Hartree-Fock exchange (optional, use -D__LIBINT) requires the libint
package to be installed.
Additional information can be found in
cp2k/tools/hfx_tools/libint_tools/README_LIBINT
Tested against libinit-1.1.4 and currently hardcoded to the default angular 
momentum LIBINT_MAX_AM 5
-D__LIBINT_MAX_AM and -D__LIBDERIV_MAX_AM1 can be used to change these 
defaults (see README_LIBINT).
(check your include/libint/libint.h to see if it matches)
-D__MAX_CONTR=4 (default=2) can be used to compile efficient contraction 
kernels up to l=4,
will take longer to compile.
http://sourceforge.net/projects/libint/files/v1-releases/libint-1.1.4.tar.gz/download
Note Do **NOT** use libinit-1.1.3, which was buggy.

I hope this helps.

Alfio



Il giorno mercoledì 29 marzo 2017 18:12:26 UTC+2, Anders ha scritto:
>
> HI all
>
> I am trying to compile CP2K 4.1 with the gcc 6.3.0, openmpi-2.1.0, 
> libxc-2.2.3 and libint-1.1.4, but I get an error message that I down 
> understand
>
>  
>
> /usr/bin/ld: Warning: size of symbol `build_deriv1_eri' changed from 10368 
> in 
> /users/cms/aslarsen/software/cp2k-4.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 2048 in 
> /cms/aslarsen/software/libint-1.1.4_install/lib/libderiv.a(init_libderiv.o)
> /usr/bin/ld: Warning: size of symbol `build_eri' changed from 19208 in 
> /users/cms/aslarsen/software/cp2k-4.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 5000 in 
> /cms/aslarsen/software/libint-1.1.4_install/lib/libint.a(init_libint.o)
> /usr/bin/ld: Warning: size of symbol `build_deriv1_eri' changed from 10368 
> in 
> /users/cms/aslarsen/software/cp2k-4.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 2048 in 
> /cms/aslarsen/software/libint-1.1.4_install/lib/libderiv.a(init_libderiv.o)
> /usr/bin/ld: Warning: size of symbol `build_eri' changed from 19208 in 
> /users/cms/aslarsen/software/cp2k-4.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 5000 in 
> /cms/aslarsen/software/libint-1.1.4_install/lib/libint.a(init_libint.o)
> /usr/bin/ld: Warning: size of symbol `build_deriv1_eri' changed from 10368 
> in 
> /users/cms/aslarsen/software/cp2k-4.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 2048 in 
> /cms/aslarsen/software/libint-1.1.4_install/lib/libderiv.a(init_libderiv.o)
> /usr/bin/ld: Warning: size of symbol `build_eri' changed from 19208 in 
> /users/cms/aslarsen/software/cp2k-4.1/lib/Linux-x86-64-gfortran/psmp/libcp2kmain.a(hfx_libint_wrapper.o) 
> to 5000 in 
> /cms/aslarsen/software/libint-1.1.4_install/lib/libint.a(init_libint.o)
>
>
>
> Here is the arch file i used based on Linux-x86-64-gfortran.psmp
>
>
> CC         = gcc
> CPP        =
> FC         = mpif90
> LD         = mpif90
> AR         = ar -r
> ACML_INC   = /cms/aslarsen/software/ACML/gfortran64/include
> ACML_LIB   = /cms/aslarsen/software/ACML/gfortran64/lib
> FFTW_INC   = /cms/aslarsen/software/fftw-3.3.6-pl1_install/include
> FFTW_LIB   = /cms/aslarsen/software/fftw-3.3.6-pl1_install/lib
> LIBINT_INC = /cms/aslarsen/software/libint-1.1.4_install/include
> LIBINT_LIB = /cms/aslarsen/software/libint-1.1.4_install/lib
> LIBXC_INC  = /cms/aslarsen/software/libxc-2.2.3_install/include
> LIBXC_LIB  = /cms/aslarsen/software/libxc-2.2.3_install/lib
> DFLAGS     = -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3\
>              -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\
>              -D__parallel -D__SCALAPACK
> CPPFLAGS   =
> FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\
>              -fopenmp -ftree-vectorize -funroll-loops\
>              -mtune=native\
>              -I$(ACML_INC) -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC)
> LDFLAGS    = $(FCFLAGS) -static-libgfortran
> LIBS       = /cms/aslarsen/software/scalapack-2.0.2_install/libscalapack.a\
>              $(ACML_LIB)/libacml.so\
>              $(FFTW_LIB)/libfftw3.a\
>              $(FFTW_LIB)/libfftw3_threads.a\
>              $(LIBXC_LIB)/libxcf90.a\
>              $(LIBXC_LIB)/libxc.a\
>              $(LIBINT_LIB)/libderiv.a\
>              $(LIBINT_LIB)/libint.a\
>              -lstdc++
>
>
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