----- Original Message ----- From: Jussi Lehtola <jussi.leht...@helsinki.fi> Date: Wednesday, August 11, 2010 21:04 Subject: Re: [gmx-users] New beta release: 4.5-beta3 To: gmx-users@gromacs.org
> On Tue, 10 Aug 2010 21:24:50 +0200 > Rossen Apostolov <rossen.aposto...@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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