[Wien] Compiling WIEN2k for AMD Opteron with Intel ifort

[shaposh@isp.nsc.ru]

Dear  Natasha,

1. Intel MKL gives lower performance for AMD A64/Opteron, compared with AMD 
acml, not to say compared with Goto BLAS library (which is best)
2. As i said, i have no problem compiling serial executables (lapw1), but i 
cant  (yet) figure out how to compile MPI version, that is lapw1_mpi. I cant 
link scalapack and blasc libraries, neither from netlib or supplied by AMD.

By the way, another important consideration - my experience shows that 64-bit 
executables may be significantly faster in some cases. I have seen 40-60% 
speedup (although average value is lower).

Best Regards,
A. Shaposhnikov

On Wednesday 25 October 2006 16:31, you wrote:
> Dear Dr Shaposhnikov,
>
> I have compiled Wien2k on AMD Athlon, Suse Linux 10.0, with
> 32-bit Intel Fortran and MKL libraries 8.0.1, after the compilation
> Wien2k is running without any problems. Here are my options:
>
> Compiler options: -FR -mp -w
> Preprocessor flags $(FOPT) -L/opt/intel/mkl/8.0.1/lib/32 -static
> R_LIB (LAPACK+BLAS): -lmkl_lapack -lmkl_ia32 -lguide -lpthread
>
> Best, Natalia
> ============================================
> Dr. Natalia Pavlenko
> Institute of Physics, University of Augsburg
> Universitaetstr.1
> D-86159 Augsburg Germany
>
> Phone: 49-821-598-3678
> Fax:   49-821-598-3652
> E-mail: pavlenko at mailaps.org
>         natalia.pavlenko at physik.uni-augsburg.de
>
> On Wed, 25 Oct 2006 shaposh at isp.nsc.ru wrote:
> > Hello WIEN2k users,
> > i am having difficulties compiling WIEN2k on AMD machine, with Intel
> > ifort compiler, AMD acml as blas/lapack, scalapack and blacs from netlib,
> > MPI is openmpi.
> > The sequential executables are compiled without any problem, but i get
> > alot of unresolved external references  trying to compile MPI version of
> > lapw1.  Most of this external calls  are present in scalapack/blacs
> > libraries. I compiled scalapack and blacs with Intel ifort compiler also.
> > Any
> > suggestions/recommendations  are more than welcome.
> >
> > Best Regards,
> > A. Shaposhnikov
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