Re: [AMBER-Developers] Crunch time for Amber11/AmberTools-1.4 release

From: Mengjuei Hsieh <>
Date: Sun, 11 Apr 2010 03:56:08 -0700

On Fri, Apr 09, 2010 at 08:10:18AM -0400, case wrote:
> Hi everyone:
> I think we are on the home stretch, and have to release soon what we have.
> Here is my current plan for a schedule:
> 1. All contributions must be in by 9am (EDT) Wed. April 14.
> 2. There will be a final RC released that day; only very serious errors in
> it will be considered for correction.
> 3. If all goes well, I hope to unleash this on the world on Wed., April 21.

Two PBSA minor issues might be interesting...
1. I've tested PBSA with PGI fortran 8 on linux (pgf90 8.0-4 32-bit target
   on x86 Linux -tp k8-32) with a segfault on pb_force.o in some test cases.
   Oddly sander pbsa doesn't have that kind of problem. It turns out that
   to avoid the problem I have to remove both -fast and -fastsse for
   compiling pb_force.o. So far I believe that it's a compiler-related
2. Some redundent compilation for libpbsa make rule in src/sander. Currently
   harmless, but this can be solved by following attached patch.

Mengjuei Hsieh, Luo Research Group, Molecular Biology & Biochemistry,
University of California Irvine.

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Received on Sun Apr 11 2010 - 04:00:02 PDT
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