[Wien] R_LIB (LAPACK+BLAS) options

[Gerhard H Fecher]

Sorry, but I do not agree.

Firstly, you, as well as others, suggest dynamic libraries, and dynamic 
linking will always result in less performance.
Second, there is no general way to say what library to use without knowing 
which processor is the target, and this is selected by the compiler options 
-xX (X = W, etc, for a specific processor). If you have a processor with 
EMT64 extension you may try the libraries from that directory, if you have a 
real 64 bit processor, namely an Intel Itanium (!), then select the 
appropriate libraries.
Third, the libraries libmkl_lapack and libmkl_ia32 suggested by the siteconfig 
script are the best choice as they are always statically linked and contain 
all processor specific subroutines.

The output of the script, which library is on youre computer is just a check 
that you really have the mkl installed.
The suggestion which Version to use is given on the next screen in the r/R 
option.

Note that libpthread is not provided by Intel and thus may be linked 
dynamically, libguide_static is found in the lib directory of the compiler. 
The manual tells you how to link them also static, without linking the sytem 
specific libraries (libc or similar) to the program.

Use ldd, ld or other tools to see from the linked program what dynamic or 
static linking are doing.


However, questions like I have ten libraries, which do I need are really not 
very helpfull. 

Good luck
Gerhard

Am Montag, 29. August 2005 18:48 schrieb Jeff Spirko:
> For those using the MKL libraries, please read the file mkluse.htm
> in the doc subdirectory of your MKL installation.  It explains what
> each library is and how to link them in to your program.
> 
> 
> 
> The end result is something like:
> R_LIB = -L/opt/intel/mkl72/lib/32 -lmkl_lapack64 -lmkl
> 
> The directory in the -L... option must be where your libmkl.so file
> is located.  If you get lots of errors about missing functions, try
> -lmkl_lapack32 instead of the 64-bit version.
> 
> Of course, the goto library is faster.
> 
> -Jeff Spirko
> 
> On Mon, Aug 29, 2005 at 01:48:16PM +0200, Bohdan Andriyevsky wrote:
> > Dear WIEN2k users,
> > There are different libraries (files) in the MKL 7.2 library of my PC,
> > /opt/intel/mkl72/lib/32/. Which libraries i have to point in the R_LIB
> > (LAPACK+BLAS)R_LIB (LAPACK+BLAS) when executing the script
> > siteconfig_lapw (-lmkl_lapack32 -lmkl_ia32 -lguide -lmkl -lmkl_def
> > -lmkl_p3 -lmkl_p4 -lmkl_p4p -lmkl_vml_def -lmkl_vml_p3 -lmkl_vml_p4
> > -lmkl_vml_p4p -lvml) for the optimal performance of wien2k?
> > Thanks a lot in advance for yours reply.
> > 
> > B.Andriyevsky
> > 
> > _______________________________________________
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> 
> -- 
> Jeff Spirko   spirko at lehigh.edu   spirko at yahoo.com   WD3V   |=>
> 
> The study of non-linear physics is like the study of non-elephant biology.
> 
> All theoretical chemistry is really physics;
> and all theoretical chemists know it. -- Richard P. Feynman 
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