Re: [AMBER-Developers] nofftw3 and MKL

From: David A Case <>
Date: Tue, 14 Oct 2014 07:38:15 -0400

On Mon, Oct 13, 2014, Niel Henriksen wrote:

> I noticed that in the current GIT version of Amber, compiling fails if you
> use MKL libraries and the "-nofftw3" option together.

OK...given Dan's comment, I agree that this is a bug. The whole way
fftw3 is used or not used needs to be fixed. Right now, the only way to
get fftw3 into pmemd is via MKL and the intel compilers. But my testing
indicates that fftw3 works fine, e.g. with the gnu compilers and no MKL.
I'll try to put in a patch to update things. But we also need to fix the
-nofftw3 problem above.


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Received on Tue Oct 14 2014 - 05:00:02 PDT
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