[gmx-developers] bug in gromacs 4.5.3 gmx_fft_fftw2

[Mathias PUETZ]

Hi,

while compiling gmx 4.5.3 for Bluegene with FFTW 2.1.5
I found the following issue:

gmx_fft_flags is defined as type int in gmx_fft.h,
but the interfaces in gmx_fft_flags still expects type enum
and therefore breaks the build.

It seems easy to fix by deleting enum in front of gmx_fft_flags in
gmx_fft_fftw2.c
I assume FFTW2 is hardly ever tested and nobody noticed the inconsistency.
On BlueGene FFTW2 can still be faster than FFTW3 since there is a special
SIMD version of FFTW2, but for FFTW3.

Mit freundlichen Grüßen / Kind regards

Dr. Mathias Puetz

Application Performance Specialist
IBM Sales & Distribution,
STG Sales / Industries Deep Computing FTSS
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