On Fri, Mar 04, 2016, Tim Giese wrote:
>
> Check to see if the link line contains "-lfftw3_mpi -lfftw3"
> because fftw_imax is defined in fftw3, not fftw3_mpi. Therefore, if the
> link line merely contains "-lfftw3_mpi", then it is missing fftw_imax.
That is it. The config.h file is correct, but on Feb. 28, Jason changed
the sander Makefile like this:
- $(FLIBS_RISMSANDER) $(FLIBS_FFTW3) $(FLIBSF) \
+ $(FLIBS_RISMSANDER) $(FFTW3) $(FLIBSF) \
that is FLIBS_FFTW3 (which expands to "-lfftw3_mpi -lfftw3" got replaced
with FFTW3 (expands to only libfftw3_mpi.a).
So, for Jason:
Why the above change? the log indicates a desire to force linking to
the static libraries, but then I'm guessing this should include libfftw3.a
In general: config.h has a very confusing set of defines:
FLIBS (used for nab, but contains fftw links)
FLIBS_FFTW3 what *should* be used (I think) for fortran programs that
link in fftw3
FFTWLIB not sure where this is used, pmemd I think
FFTW3 for static linking to fftw3
I'm going to try expanding FFTW3 to include libfftw3.a, but this variable
should have a more descriptive name, if we indeed need it.
...thanks, Tim.....dac
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Received on Fri Mar 04 2016 - 09:30:04 PST
