Hi all,
My preliminary report is indeed on
https://gitlab.ambermd.org/amber/amber/wikis/Singularity-reports . I
opened an issue in gitlab. I copy below my comments:
- cmake dependency for cuda has changed, so I can't build (yet)
- I have some trouble with the parallel tests on centos/8 with MPICH. If
someone could test Centos/8 and tell whether he/she encounters the same
problem or not would be helpful.
Best,
Gerald.
On 4/29/20 13:42, David A Case wrote:
> Hi everyone:
>
> The fifth release candidate tarballs can be found here:
>
> ambermd.org/downloads/AmberTools20.RC5.tar.bz2
> ambermd.org/downloads/Amber20.RC5.tar.bz2
>
> Please read chapter 2 in the doc/Amber20.pdf file, (now considerably
> expanded) and follow the instructions there.
>
> This is a pretty significant change from RC4: python3 is now the
> default, and searching conda libraries should be back to the way that
> things were in RC3: these wont be used unless you set
> USE_CONDA_LIBS=TRUE. RC5 also has the patches and recipe files needed
> to create a conda package for AmberTools.
>
> This release candidate works for me on MacOSX and Ubuntu18.04, but you
> might want to wait until Gerald has had a chance to run this on a ton of
> Linux distros. Results will be in the wiki:
>
> https://gitlab.ambermd.org/amber/amber/wikis/Singularity-reports
>
> (Gerald: if it helps, you can probably discontinue testing miniconda2.)
>
> I'd still like to find a volunteer to test on MacOSX.
>
> ...thx...dac
>
>
> _______________________________________________
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> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
--
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Prof. Gerald MONARD
Directeur du mésocentre EXPLOR
Université de Lorraine
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F-54506 Vandoeuvre-les-Nancy, FRANCE
e-mail : Gerald.Monard.univ-lorraine.fr
phone : +33 (0)372.745.279
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web : http://www.monard.info
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Received on Wed Apr 29 2020 - 10:30:02 PDT
