Re: [AMBER] AMBER installation on multiple computers

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Mon, 26 Apr 2021 09:33:02 +0000

I am pretty sure there are some “management” tools out there that could automate this process using some container or similar.

If the issue is not wanting to compile on each machine and all the machines are identical “clones” in all other aspects. A quick thought would be to automate/script the prerequisite installs, compile everything on computer 1, cloning the amber directories (maybe skipping the _src directory if updates are to be distributed in a similar manner) to some server/storage and then make each clone run the “prerequisite” script and then pulling the “amber20” folder from the server, placing it in the correct location applying the correct permissions.

This is likely NOT the best way to do this and will likely cause problems if machines are not identical with regards to hardware and software.

At some point in time, not having the time to learn how to use containers, I set up a script to pull amber tarballs from my computer, extract, install prerequisites, compile amber and run tests. This script also included setting up SSH, VNC and a bunch of other things. This was to be able to spin up X number of VPSs and just run the script on each fresh server, installing and setting up everything. This way, installing on 6 servers took the same amount of time as installing on “a” server. I hade to delete these freeing up resources as projects finished, this was the “easiest” way I initially figured out to get up and running again quickly.

Pretty sure there might be some sound criticism and better suggestions coming though
// Gustaf

> On 26 Apr 2021, at 10:12, Ravi Abrol <raviabrol.gmail.com> wrote:
>
> Hi,
>
> Does anyone have a good solution to efficiently installing AMBER and
> AMBERTOOLS on multiple workstations with GPUs? Ideally, I would like to
> install it on one linux box and then clone the disk to other computers. Is
> there a way to do this or a different way that doesn't involve installing
> it individually on every single computer? I need to install it on ~15-20
> workstations in the lab.
>
> Thanks,
> Ravi
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Received on Mon Apr 26 2021 - 03:00:02 PDT
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