Re: [AMBER-Developers] nofftw3 and MKL

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 13 Oct 2014 20:41:37 -0400

On Mon, Oct 13, 2014, T Luchko (Lists) wrote:
>
>
> -nofftw3 is there because fftw3 requires a minimum of GNU 4.3 and Intel
> 9. It used to be that the minimum compiler version we supported was GNU
> 4.1.2. I’d be happy to get rid of this restriction.

I think we should assume compilers able to handle fftw3. I also note that
pmemd uses -DPUBFFT even though fftw3 has been configured and is available,
say with gnu compilers chosen. Does anyone know why this is?

>
> Inheritance is the big one for me. It would simplify my code a lot.

Are you think of the "extends" keyword, or something else here? Goggling
on "inheritance Fortran" yields a mishmash of hits, with not an obvious single
thing being "inheritance".

....dac


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Received on Mon Oct 13 2014 - 18:00:02 PDT
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