On Tue, Dec 14, 2021, Yu Chen wrote:
>
>I tried to install Amber 20 with AmberTools 21 on Ubuntu 20.04, using
>gcc/8.4.0 and openmpi-1.10.7.
You should upgrade openmpi. Version 1.10 is listed as "ancient"
at
https://www.open-mpi.org/software/ompi/v4.1/, and the current supported
version is version 4.0.7. Back in 2017, it was reported that openmpi 1.10
fails in exactly the way you see:
http://archive.ambermd.org/201701/0578.html
Upgrading openmpi solved the problem back in 2017, so I hope the upgrade fix
will still work for you.
....dac
p.s. I found the message above by doing a Google search on "amber
Run.dhfr.noboxinfo". It's surprising how often doing a search on a Amber
error message will lead to useful information.
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Received on Wed Dec 15 2021 - 06:00:02 PST
