[gmx-users] replacement for FFTW
nmoore at physics.umn.edu
Sat May 28 02:13:08 CEST 2005
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.
Thus far GROMACS has not worked right out of the box for me.
thanks for your reply!
> 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
>> hear more about the use of the FFTW routine in the code. I have access
>> the MASSV (fast-math) math libraries, as well as ESSL (IBM's Lapack).
>> 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.
>> NT Moore,
>> Physics, U of Minnesota
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> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
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