Re: [AMBER-Developers] AmberTools21 release candidate 3 is ready for testing

From: Gerald Monard <gerald.monard.gmail.com>
Date: Wed, 21 Apr 2021 09:17:31 +0900

Hello,

Could someone check RC3 with CentOS 8, especially the parallel version?
I tested on a container (
https://gitlab.ambermd.org/amber/amber/-/wikis/Singularity-reports) and I
ended up with a lot of errors involving cpptraj.MPI at least.
I am using the "default" mpich version in CentOS 8, but may be a different
MPI implementation would give something else.
Thanks,
Gerald

P.S.: for those who would wonder, mpich works fine with some other distros
(see the report)

On Sun, Apr 18, 2021 at 10:17 PM David A Case <david.case.rutgers.edu>
wrote:

> Hi everyone:
>
> You can get the third release candidate here:
>
> https://ambermd.org/downloads/AmberTools21.RC3.tar.bz2
>
> Things that I am hoping are resolved:
>
> * works with gcc10 (for both Amber and AmberTools)
> * should work OK on Fedora
>
> We don't need that much new testing, especially for Linux, where Gerald is
> examining lots of distros. We *do*, however, need those with access to
> Mac's to try things out. (We are no longer testing OSX with jenkins/CI, so
> we need more manual testing there.)
>
> We also need more attention paid to the Reference Manual.
>
> As before, please report results and problems here:
>
> https://ambermd.org/pmwiki/pmwiki.php/Main/AmberTools21Test
>
> ...thx...dac
>
> _______________________________________________
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> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
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Received on Tue Apr 20 2021 - 17:30:02 PDT
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