[Q-e-developers] trunk version of QE

[stefano de gironcoli]

I moved the duplicated routines cdiaghg and rdiaghg from KS_Solvers/XX 
to LAXlib
and the mp_bands.f90 modules in UtilXlib
that should solve the duplicate symbols problem.

stefano

On 08/08/2017 15:52, Paolo Giannozzi wrote:
> mhhhh .... 1. seems easy to fix; 2. I think I know how to fix it; 3. 
> is less obvious: duplicated symbols must be avoided. Thank you for 
> reporting this.
>
> Paolo
>
> On Tue, Aug 8, 2017 at 3:15 PM, Anton Kozhevnikov 
> <a.v.kozhevnikov at gmail.com <mailto:a.v.kozhevnikov at gmail.com>> wrote:
>
>     Dear QE developers!
>     The current trunk version of QE is very hard to compile on
>     non-Linux environment.
>
>     1. On OSX 'fox' and 'FoX' are the same directory. This breaks the
>     configure script and the FoX library can't be configured and
>     installed. I had to patch the extlibs_makefile like this
>     diff --git a/install/extlibs_makefile b/install/extlibs_makefile
>     index 3a834c4..032b9a9 100644
>     --- a/install/extlibs_makefile
>     +++ b/install/extlibs_makefile
>     @@ -78,9 +78,11 @@ libiotk:
>
>      libfox:
>             if test ! -d ../FoX; then \
>     -       (gzip -dc ../archive/fox.tgz | (cd ../; tar -xvf -)); \
>     -       cd ../fox/; export FC=$(F90); ./configure
>     --prefix=$(TOPDIR)/FoX ;\
>     -       cd ../fox; $(MAKE) install; rm -fr ../fox;fi
>     +       mkdir ../FoX; \
>     +       cd ../Fox; \
>     +       tar zxvf ../archive/fox.tgz;\
>     +       cd ./fox; export FC=$(F90); ./configure
>     --prefix=$(TOPDIR)/FoX ;\
>     +       cd ../fox; $(MAKE) install; fi
>
>     2. There are missing symbols in FFT (with the default -D__FFTW
>     flag). The following patch was applied
>
>     diff --git a/FFTXlib/Makefile b/FFTXlib/Makefile
>     index b0325f3..0d9f717 100644
>     --- a/FFTXlib/Makefile
>     +++ b/FFTXlib/Makefile
>     @@ -27,7 +27,8 @@ fft_error.o  \
>      fft_stick.o  \
>      fft_types.o \
>      tg_gather.o \
>     -fft_param.o
>     +fft_param.o \
>     +fft_stick.o
>
>
>      all : libqefft.a
>     diff --git a/FFTXlib/fft_stick.c b/FFTXlib/fft_stick.c
>     index fd69d58..9e890e7 100644
>     --- a/FFTXlib/fft_stick.c
>     +++ b/FFTXlib/fft_stick.c
>     @@ -136,7 +136,7 @@ int fftw_inplace_drv_3d
>         return 0;
>      }
>
>     -int ft_x_stick_single
>     +int fft_x_stick_single_
>      (fftw_plan *p, FFTW_COMPLEX *a, int *nx, int *ny, int *nz, int
>     *ldx, int *ldy )
>      {
>
>     @@ -158,7 +158,7 @@ int ft_x_stick_single
>      }
>
>
>     -int fft_z_stick_single (fftw_plan *p, FFTW_COMPLEX *a, int *ldz)
>     +int fft_z_stick_single_ (fftw_plan *p, FFTW_COMPLEX *a, int *ldz)
>
>     3. Duplicate symbols in the iterative solver:
>
>     duplicate symbol _cdiaghg_ in:
>         ../../KS_Solvers/Davidson/libdavid.a(cdiaghg.o)
>         ../../KS_Solvers/CG/libcg.a(cdiaghg.o)
>     duplicate symbol _pcdiaghg_ in:
>         ../../KS_Solvers/Davidson/libdavid.a(cdiaghg.o)
>         ../../KS_Solvers/CG/libcg.a(cdiaghg.o)
>
>     I don't know how to fix this and why it's working on Linux.
>
>     With best regards,
>     Anton.
>
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>
>
>
>
> -- 
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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