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
>
>
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Received on Fri Mar 25 2022 - 15:00:03 PDT
