Re: [AMBER-Developers] Release Candidate: PBSA issues on Cygwin

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 28 Mar 2012 10:52:44 -0400

On Wed, 2012-03-28 at 10:42 -0400, David A. Case wrote:
> On Tue, Mar 27, 2012, Xingping Liu wrote:
> >
> > There is no specific reason for using dsvdc() instead of dgesvd().
> > Maybe we should just set isvd to 2 to save the energy to look into the
> > library subroutines.
>
> Can you say which test case(s) you are talking about? Hopefully provide a
> patch (I guess with new outputs) that implements the proposed change?

He sent me the patch yesterday evening, and I'll apply it shortly (it's
a 1-liner, but I'm running through the tests quickly for sanity). I
presume he's talking about the test failures Dan mentioned, but he can
correct me if I'm mistaken here.

All the best,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Mar 28 2012 - 08:00:04 PDT
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