Not about Amber, but i looked into another MD program. AWS was waaaaayyyyyy more costly. We purchased a new workstation instead of going for AWS. But, of course, you can still think of AWS if it's going to be for a small run.
You can look for Penguin Computing
https://pod.penguincomputing.com/documentation/applications.html. This is a relatively cheaper alternative and can install software on-demand.
Best
RPS
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________________________________
From: Gustaf Olsson <gustaf.olsson.lnu.se>
Sent: Wednesday, August 12, 2020 6:10:38 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] Amazon Cloud services and Amber
We had a related discussion going some time ago based on a question by Fabian:
http://archive.ambermd.org/201909/0062.html
I don't remember if there were any concrete answers or just more questions though.
Best regards
// Gustaf
> On 12 Aug 2020, at 14:24, Debarati DasGupta <debarati_dasgupta.hotmail.com> wrote:
>
> Hello everyone,
> I was wondering has anyone used AWS for Amber18 simulations and can guide me to some resources wherein I can see the compute costs and details about Amazon cloud services?
> At the lab we currently have 20 Nvidia RTX 2080 TI machines, but because of an influx of new rotation students/postdocs we were thinking whether we could transition to AWS...
> Any ideas on expensive or not-expensive it will be ?
>
> Thanks
> Debarati
>
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Received on Wed Aug 12 2020 - 06:00:06 PDT
