[gmx-users] New beta release: 4.5-beta3
mark.abraham at anu.edu.au
Wed Aug 11 14:35:38 CEST 2010
----- 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
> > support with icc compilers, SSE2. Have a look at the release
> note on
> > the website for more details. There are still some issues on
> > 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
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