Re: [AMBER] Amazon Cloud services and Amber

From: Raman Preet Singh <>
Date: Wed, 12 Aug 2020 12:47:36 +0000

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 This is a relatively cheaper alternative and can install software on-demand.



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From: Gustaf Olsson <>
Sent: Wednesday, August 12, 2020 6:10:38 PM
To: AMBER Mailing List <>
Subject: Re: [AMBER] Amazon Cloud services and Amber

We had a related discussion going some time ago based on a question by Fabian:

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 <> 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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