[Q-e-developers] trunk version of QE

[Paolo Giannozzi]

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
> 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.
>
> _______________________________________________
> Q-e-developers mailing list
> Q-e-developers at qe-forge.org
> http://qe-forge.org/mailman/listinfo/q-e-developers
>
>


-- 
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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