[Pw_forum] request

[Axel Kohlmeyer]

On Tue, 29 Jul 2008, afsaneh daemi wrote:

AD> dear all,
AD>   I'm a freshman user in the espresso.
AD> I can't find the mkl library file to install it.
AD> Where should I stop by?

since people tend to forget this. please note, that MKL 
is a commercial software and the non-commercial license 
applies only to work that you are not being paid for.
so if you are a researcher or graduate student, you need
an academic license. if you program something at home that
is not related to your work, you are allowed to use the
non-commercial version. same goes for the compilers. the
binaries are identical.

the fact that many people use MKL or discuss problems with MKL
does not imply that it is required. any BLAS/LAPACK implementation
will work and QE actually ships with a portable minimial version
in case there is not alternative recognized.

of course an optimized implementation (like MKL) will make QE 
execute faster, but there are free alternatives around as well:
e.g. ATLAS or GOTO BLAS.

cheers,
   axel.

AD> sincerely
AD> afsaneh
AD> 

-- 
=======================================================================
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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If you make something idiot-proof, the universe creates a better idiot.