[Pw_forum] Compilation issue (phenom II and ACML)

[Vit]

I found the solution...
 ./configure LDFLAGS="-L/opt/acml4.2.0/gfortran64/lib/ -lacml" works
(for MP LDFLAGS="-L/opt/acml4.2.0/gfortran64_mp/lib/ -lacml_mp" , but
as the result I have

The following libraries have been found:
  BLAS_LIBS=
  LAPACK_LIBS= -llapack
  FFT_LIBS=
Please check if this is what you expect.

As I see QE tryes to use lapack from the system, but not ACML and FFT
is from internal (DFLAGS =  -D__GFORTRAN -D__FFTW
-D__USE_INTERNAL_FFTW).
ACML can provede blas, lapack, fft libraryes. Why did it recognize only blas?

Best wishes,
Koroteev Victor,
Nikolaev Institute of Inorganic Chemistry SB RAS.

On Mon, May 4, 2009 at 6:19 AM, Axel Kohlmeyer
<akohlmey at cmm.chem.upenn.edu> wrote:
> On Sun, May 3, 2009 at 8:36 AM, Vit <vitruss at gmail.com> wrote:
>> Good day, everyone!
>> I'm trying to use PWSCF on my own computer with Phenom II x4 with Arch
>> Linux onboard. The User guide says that I can get huge benefit from
>> using ACML from AMD.
>> I've downloaded and installed it. Now I'm trying to compile QE with
>> this library. If I use just "configure" it uses internal BLAS, LAPACK
>> and FFTW libraries. If I try
>> LDFLAGS="-L/opt/acml4.2.0/gfortran64_mp/lib/ -lacml" it says:
>
> hmmm... if you want to run with MPI, you should not use
> the multi-threaded ACML but the serial one. see the comments
> on using OMP_NUM_THREADS=1 with intel's MKL v10.
>
>> checking build system type... x86_64-unknown-linux-gnu
>> checking architecture... amd64
>> checking for Fortran 77 compiler default output file name...
>> configure: error: Fortran 77 compiler cannot create executables
>> See `config.log' for more details.
>>
>> What's wrong?
> [...]
>
>> configure:1695: checking for Fortran 77 compiler default output file
>> name
>> configure:1698: mpif77  -L/opt/acml4.2.0/gfortran64_mp/lib/ -lacml
>> conftest.f  >&5
>> /usr/bin/ld: cannot find -lacml
>> collect2: ld returned 1 exit status
>
> looks like your ACML installation does not work. did you test
> it on a simpler program before?
>
> cheers,
>   axel
>
>> configure:1701: $? = 1
>> configure: failed program was:
>> |       program main
>> |
>> |       end
>> configure:1740: error: Fortran 77 compiler cannot create executables
>> See `config.log' for more details.
>
>
>
> --
> =======================================================================
> Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
>  Center for Molecular Modeling   --   University of Pennsylvania
> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
> tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
> =======================================================================
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