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. -- ------------------------------------------------------ Jussi Lehtola, FM, Tohtorikoulutettava Fysiikan laitos, Helsingin Yliopisto jussi.leht...@helsinki.fi, p. 191 50632 ------------------------------------------------------ Mr. Jussi Lehtola, M. Sc., Doctoral Student Department of Physics, University of Helsinki, Finland jussi.leht...@helsinki.fi ------------------------------------------------------ -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
