[gmx-users] replacement for FFTW

[David]

On Fri, 2005-05-27 at 19:13 -0500, Nathan Moore wrote:
> Maybe porting was the wrong word.  I'm cross compiling (on one PowerPC
> architecture for execution on a different PowerPC architecture) and would
> prefer to use the IBM essl fourier transform over the fftw routine.
Right now it isn't possible without editing the gromacs code.

> 
> Thus far GROMACS has not worked right out of the box for me.
Check archives about compiling on IBM machines.
> 
> thanks for your reply!
> 
> Nathan
> 
> > On Fri, 2005-05-27 at 15:54 -0500, Nathan Moore wrote:
> >> Hello list,
> >>
> >> I'm working on porting GROMACS to an IBM powerpc machine and am curious
> >> to
> >> hear more about the use of the FFTW routine in the code.  I have access
> >> to
> >> the MASSV (fast-math) math libraries, as well as ESSL (IBM's Lapack).
> >> Are
> >> the routines from FFTW standard lapack calls (ie sgetrf or similar)?
> >>
> >> Any advice from people who've ported to powerpc would be appreciated,
> > What do you mean, porting? It works out of the box, doesn't it?
> >
> > FFTW does not use any libraries itself.
> >>
> >> regards,
> >>
> >> NT Moore,
> >> Physics, U of Minnesota
> >> _______________________________________________
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> > --
> > David.
> > ________________________________________________________________________
> > David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> > Dept. of Cell and Molecular Biology, Uppsala University.
> > Husargatan 3, Box 596,          75124 Uppsala, Sweden
> > phone:  46 18 471 4205          fax: 46 18 511 755
> > spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> >
> > _______________________________________________
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> >
> 
> _______________________________________________
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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