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-- Ray Luo, Ph.D. Professor of Structural Biology/Biochemistry/Biophysics, Chemical and Materials Physics, Chemical and Biomolecular Engineering, Biomedical Engineering, and Materials Science and Engineering Department of Molecular Biology and Biochemistry University of California, Irvine, CA 92697-3900 On Fri, Mar 25, 2022 at 2:38 PM Romain M. Wolf <romain.wolf.gmail.com> wrote: > Have started on OSX, using either macports/gnu or native clang with > separate gfortran, cmake downloads. > With clang it went ‘almost’ to the end (serial) then some errors. Will > report details tomorrow, after trying RC2. > With GNU, I ran into more problems at earlier stages. > …regards…romain > > > > On 25 Mar 2022, at 20:26, David A Case <david.case.rutgers.edu> wrote: > > > > Hi everyone: > > > > The second release candidate tarballs are available: > > > > wget https://ambermd.org/downloads/AmberTools22.25mar22.tar.bz2 > > wget https://ambermd.org/downloads/Amber22.25mar22.tar.bz2 > > > > See instructions and post results here: > > > > https://ambermd.org/pmwiki/pmwiki.php/Main/Amber22Test > > > > (editing password is 'pakrules'). Some notes: > > > > 1. Python continues to plague us. Results are different, depending on > the > > system I test on. Some combination of setuptools(?), distutils, > > easy-install, and conversion from Python2 to Python3 all influence > > the results. Basically, don't worry (or even both to report) Python > > failures at this point. Contact Jason if you (think you) have a > solution > > here; as best I can tell, something(?) changed in miniconda in the past > > few weeks that has broken our installation workflow. (Don't bother > Jason > > with speculation -- we need tested suggestions from those who know > what is going on.) > > > > 2. There are a few fixes since RC1, most importantly to GB problems with > > some GPU installations, plus some fixes that make the tests run with > > fewer apparent failures. But those of you who spent the effort on > > RC1 (thanks!) don't need to repeat so much this time around. Perhaps > > pick one environment that is important for your work, and concentrate > > on that. > > > > 3. I didn't get any volunteers to try RC1 on OSX, and that is still > > needed. (Maybe few people use OSX anymore(?); I know I have > switched to Linux for both server and laptop environments.) > > > > 4. Kudos to Gerald for the singularity container work! If you see > problems > > on your Linux box, compare to Gerald's nice tables to see if you are > getting > > something very different than what he sees. (There is link on the > wiki page above to the singularity reports.) > > > > ...thanks in advance....dac > > > > > > _______________________________________________ > > AMBER-Developers mailing list > > AMBER-Developers.ambermd.org > > http://lists.ambermd.org/mailman/listinfo/amber-developers > > _______________________________________________ > AMBER-Developers mailing list > AMBER-Developers.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber-developers > _______________________________________________ AMBER-Developers mailing list AMBER-Developers.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber-developersReceived on Sun Mar 27 2022 - 08:30:02 PDT