Re: [AMBER-Developers] Reminder: code deadline for Amber22 and AmberTools22 is only two weeks away!

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 25 Feb 2022 13:15:18 -0500

On Fri, Feb 25, 2022 at 7:58 AM David A Case <david.case.rutgers.edu> wrote:

>
> [Jason: should we temporarily skip parallel mm_pbsa.py tests so that we can
> unclog the pipeline?]
>

I'm trying to update the docker image used in the builds (it was using
Ubuntu 18.04 as a base -- I'm trying 20.04 now). My operating hypothesis
is that the mpich version bundled in Ubuntu 18.04 isn't including the librt
library that supplies some of the aio_* symbols that is causing the mpi4py
config/build failure. Hopefully Ubuntu 20.04 has a later version of mpich
that doesn't have the same problem.

If this fixes the problem, I'll update the docker images in Docker Hub and
the builds should start working again. Otherwise we would have to skip
building mpi4py (not just the MMPBSA.py MPI tests).

Thanks,
Jason

-- 
Jason M. Swails
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Received on Fri Feb 25 2022 - 10:30:02 PST
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