[Wien] Some interesting observation with "runsp_lapw -so -orb"on Mac OSX

[Gavin Abo]

Yes, FPOPT is for mpi parallel not serial.

For serial, you need for fftw3:

O   Compiler options:        -free -mp1 -prec-div -pc80 -pad -align 
-traceback -DFFTW3
R   R_LIB (LAPACK+BLAS):     -lmkl_intel_lp64 -lmkl_intel_thread 
-lmkl_core -liomp5 -lpthread -L/opt/local/fftw3/lib/ -lfftw3

This requires that you download ( http://fftw.org/download.html) and 
install fftw3.3.3 at /opt/local/fftw3/.  Alternatively, you could use 
the mkl-fftw3 library.  For that, refer to the Wien2k user guide "11.1.1 
Installation tips for mpich and fftw (either version 2.1.5 or 3.3".

On 12/20/2012 11:41 AM, Zhu, Jianxin wrote:
> Gavin,
>
> Yes. I am using serial mode for my Mac machines.
>
> This is what I have in the siteconfig_lapw procedure ---
>
>
>
> ....
> Recommended options for system linuxif111 are:
>       Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
> -DINTEL_VML -traceback
>       Linker Flags:            $(FOPT)
> -L/opt/intel/Compiler/11.1/046/mkl/lib/em64t -pthread
>       Preprocessor flags:      '-DParallel'
>       R_LIB (LAPACK+BLAS):     -lmkl_lapack -lmkl_intel_lp64
> -lmkl_intel_thread -lmkl_core -openmp -lpthread -lguide
>
> Current settings:
>   O   Compiler options:        -free -mp1 -prec-div -pc80 -pad -align
> -traceback
>   L   Linker Flags:            $(FOPT) -L/opt/intel/Composer/mkl/lib
>   P   Preprocessor flags       '-DParallel'
>   R   R_LIB (LAPACK+BLAS):     -lmkl_intel_lp64 -lmkl_intel_thread
> -lmkl_core -liomp5 -lpthread
>
>   S   Save and Quit
>   Q   Quit abandon changes
>
>       To change an item select option.
>
> Selection:
>
>
>
>
>
> Do you mean I have to put in -DFFTW3 explicitly?
>
> In the OPTIONS file, I do see
>
> current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
> -DFFTW3
>
> But that's for MPI running, right?
>
>
>
> If I look at the recommended options (as copied/pasted above), there is no
> -DFFTW3 there.
>
> Maybe I haven't understand your point correctly?
>
> Do you want me to put -DFFTW3 explicitly behind the option FOPT lineso
> that it changes from
>
>
> -free -mp1 -prec-div -pc80 -pad -align -traceback
>
>
> to
>
> -free -mp1 -prec-div -pc80 -pad -align -traceback -DFFTW3
>
>
> ?
>
>
> Thanks,
>
> Jianxin

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