[Wien] WIEN2k on MacOSX

[Masayoshi Mikami]

Dear Wien2k users who use MacOSX,

Since I posted the e-mail, I have been struggling with
WIEN2k_06 on MacOSX (Tiger, 10.4.8).
I think that I have managed to compile WIEN2k on MacOSX.
I could not "google" documents related to my experience
(as described below), so please let me post as a quick memo
for MacOSX users who do not have commercial fortran compilers.

-----------------------------------------------------------
- I installed gfortran.
   http://hpc.sourceforge.net/ or http://gcc.gnu.org/wiki/GFortran
   I installed Xcode 2.4.1 for this purpose.

- I compiled LAPACK package (v.3.1): http://www.netlib.org/lapack/
   I had trouble with "make all" (e.g. etime ...), so I just did  
"make blaslib"
   and "make lapacklib".

- the compilation was done finally
   FC = gfortran
   CC = gcc
   FOPT =  -O2 -fforce-addr -ffree-form -mpowerpc -fno-automatic
-fno-second-underscore -ftree-vectorize
   FPOPT = -O DParallel = '-DParallel'
   LDFLAGS = -L/"my liblapack_OSX.a/libblas_OSX.a place"
   R_LIBS = -llapack_OSX -lblas_OSX
(NB: I have not yet optimize the compiler options so much...)
-----------------------------------------------------------

  Here I have some comments;
1) On MacOSX, the LAPACK/BLAS is available:
   http://lists.apple.com/archives/Scitech/2004/Jun/msg00152.html
   so, in fact,  I tried at the first time with the following options:
   LDFLAGS = -L/System/Library/Frameworks/vecLib.framework
   R_LIBS = -Wl,-framework -Wl,vecLib
   The options completed the compilation without any complaints.
   Some tests (using lapw1) apparently worked fine.
   However, tests using lapw1c (for "no inversion" system) failed,  
saying
   "Cholesky INFO = 2637, 'SECLR4' - POTRF (Scalapack/LAPACK) failed."
   That is why I compiled LAPACK/BLAS on my own.

2) When I used the options
   LDFLAGS = -L../SRC"
   R_LIBS = -llapack_lapw -lblas_lapw
   I had an compilation error with SRC_mini ("dgeqrf not found").
   I just thought that SRC_lib might not have been updated (?).
   Since it was a good occasion to try the new LAPACK (v.3.1),
   so I compile the LAPACK separately.

Still, there is something to do... for w2web deal with DOS plot, etc.
But main computational engines appear to work. Thanks.

Wishing this would be interesting to someone,
Masayoshi Mikami

On 2006/11/16, at 18:13, Masayoshi Mikami wrote:

> Dear Wien2k users,
>
> I would appreciate very much,
> if you could tell the status-quo of WIEN2k for MacOSX.
> (In my case, Tiger 10.4.8, powerPC G5)
>
> I would like to try compilation with XLF, gfortran, or g95.
> Apparently, some of them may work for WIEN2k.
> http://gcc.gnu.org/wiki/GfortranApps
> http://www.wien2k.at/reg_user/benchmark/
>
> I would appreciate FULL compilation options during "siteconfig."
> I looked into the manual (PDF), but I could find ...
> Is there a summary for this purpose somewhere ?
> (Just URLs would be highly appreciated)
>
> Yours truly,
> Masayoshi Mikami
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