[gmx-users] New beta release: 4.5-beta3

[Mark Abraham]

----- Original Message -----
From: Jussi Lehtola <jussi.lehtola at helsinki.fi>
Date: Wednesday, August 11, 2010 21:04
Subject: Re: [gmx-users] New beta release: 4.5-beta3
To: gmx-users at gromacs.org

> On Tue, 10 Aug 2010 21:24:50 +0200
> Rossen Apostolov <rossen.apostolov at cbr.su.se> wrote:
> 
> > 
> > New beta release of gromacs is available for testing: 
> > ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.5-beta3.tar.gz.
> > 
> > Many bugs have been fixed in this release, mainly double 
> precision 
> > support with icc compilers, SSE2. Have a look at the release 
> note on
> > the website for more details. There are still some issues on 
> Windows 
> > platofrms that will be resolved before the final release.
> > 
> > Please try it out and see if it works as expected! Hopefully there
> > won't be many more betas :))
> 
> I can't compile using CMake - I get undefined references to GSL
> functions when compiling do_dssp. -lgsl seems to be missing from the
> linker line.
> 
> Another issue is that the CMake build scripts do not seem to honor
> CFLAGS. The string "-fomit-frame-pointer -finline-functions
> -funroll-all-loops  -O3 -DNDEBUG" is added to the end of 
> the flags,
> which causes a problem since the optimization settings are overruled.
> 
> Plus, I think there should be some kind of minimal readme for usage
> with CMake.

Agreed - I asked for that a while ago, and Rossen put some info here http://www.gromacs.org/Developer_Zone/Cmake

Mark

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