Hi, now I have both AmberTools24.tar.bz2 and Amber24.tar.bz2 downloaded. After I extracted them, I get two "amber24_src" folders.
In the amber24_src extracted from Amber24.tar.bz2, it shows "benchmarks examples README src test;
in the amber24_src extracted from AmberTools24.tar.bz2, it shows "AmberTools build cmake CMakeLists.txt cmake-packaging compile_with_hip.sh dat README recipe_at test update_amber updateutils".
So how to combine them together to build?
Previously I merely extracted AmberTools24.tar.bz2 and run "run_cmake".
Thanks!
Wei
________________________________
From: Jiang, Wei via AMBER <amber.ambermd.org>
Sent: Saturday, December 14, 2024 9:36 AM
To: amber.ambermd.org <amber.ambermd.org>; Adrian Roitberg <roitberg.ufl.edu>
Subject: Re: [AMBER] License for pmemd.cuda
Thank you for clarification! I just downloaded the Amber24. tar. bz2 from amber. org. Wei Jiang, PhD, Computational Science Division Argonne National Laboratory 9700S, Cass Ave, Lemont, IL60439 630-252-8688<callto: 630-252-8688> (office) 630-252-7121<callto: 630-252-7121>
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Thank you for clarification! I just downloaded the Amber24.tar.bz2 from amber.org.
Wei Jiang, PhD, Computational Science Division
Argonne National Laboratory
9700S, Cass Ave, Lemont, IL60439
630-252-8688<callto:630-252-8688> (office)
630-252-7121<callto:630-252-7121> (fax)
________________________________
From: Adrian Roitberg via AMBER <amber.ambermd.org>
Sent: Saturday, December 14, 2024 9:26 AM
To: amber.ambermd.org <amber.ambermd.org>
Subject: Re: [AMBER] License for pmemd.cuda
What do you exactly mean by free ? Ambertools does NOT have the cuda version, but if you download the Full Amber suite from the ambermd. org site, you will get it there. You need to fill out a license agreement, but it is free to academics. Adrian
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What do you exactly mean by free ?
Ambertools does NOT have the cuda version, but if you download the Full
Amber suite from the ambermd.org site, you will get it there.
You need to fill out a license agreement, but it is free to academics.
Adrian
On 12/14/24 9:07 AM, Jiang, Wei via AMBER wrote:
> [External Email]
>
> Hi, I see free version amber24 does not install pmemd.cuda. I am a new user of amber. Since which version amber program pmemd.cuda is installed by licensed version only?
>
> Wei
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Dr.Adrian E. Roitberg
Frank E. Harris Professor
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Sat Dec 14 2024 - 08:30:02 PST
