Re: [AMBER-Developers] nofftw3 and MKL

From: T Luchko (Lists) <"T>
Date: Tue, 14 Oct 2014 09:44:31 -0700

On Oct 13, 2014, at 5:41 PM, David A Case <> wrote:

> 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".

Yes. The ‘extends’ keyword is what I mean. The ‘class’ keyword allows polymorphism, which I would also like, but doesn't get support until 4.5/4.6. I suspect that we will be dealing with RHEL/CentOS 6 for sometime. The cluster I had delivered in May has CentOS 6.5 on it.

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Received on Tue Oct 14 2014 - 10:00:02 PDT
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