Re: [AMBER-Developers] building issue

From: David A Case <>
Date: Wed, 15 Feb 2012 07:42:00 -0500

On Tue, Feb 14, 2012, Jason Swails wrote:
> There's a building issue that's cropping up now because of PBSA's
> dependence on FFTW3 in parallel. The problem is that PBSA does not always
> build in parallel (especially if it can't find the proper libraries).
> However, if fftw3 doesn't get built in parallel, you hit this issue:

How are you getting to this point? (Trying to build pbsa.MPI without having
first made a parallel FFTW?

> Any ideas? Is there a way to build PBSA _without_ the FFT solver?

What's going to happen is that parallel PBSA will not be released with
Amber12. I've been talking with the Irvine people about how to back the
parallel stuff out of the current tree, but we still need to come to agreement
on the best way to proceed.

Do you have commit b102e46fde18f4? That comments out the attempt to build
pbsa.MPI (and removes the associated tests.) I'd think that would solve the
issue you raised here.

There is still the problem that a serial version of libpbsa.a needs to be made
before the parallel version of nab can be built. We're working on that


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Received on Wed Feb 15 2012 - 05:00:03 PST
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