[CP2K:404] single precision compilation of cp2k

[Juerg Hutter]

Hi

It's almost 2 years since we tried this the last time.
In priciple you only need the preprocessor flag __SGL.
The problem you will face are the libraries;
BLAS, LAPACK, SCALapack, MPI and the FFT libraries.

We had it working for non-parallel and the FFTSG library.
My guess would be
BLAS, LAPACK  -> replace dxxxx by sxxx
ScaLapack  ???
MPI should be ok
FFT libraries; FFTSG should be ok, FFTW link single precision version

Juerg

----------------------------------------------------------
Juerg Hutter                   Phone : ++41 44 635 4491
Physical Chemistry Institute   FAX   : ++41 44 635 6838
University of Zurich           E-mail: hut... at pci.uzh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
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On Tue, 27 Nov 2007, Axel wrote:

>
> hi!
>
> can anybody here give me a short summary of what would
> be needed to compile cp2k in single precision.
>
> thanks,
>    axel.
> >
>