Re: [AMBER] Regarding help in installation (LINUX ubuntu)

From: Raman Preet Singh <>
Date: Fri, 11 Sep 2020 08:19:04 +0000

HI Swapnil,

I have installed AmberTools20 on Ubuntu 20.04 LTS natively (standalone OS) as well as on WSL in Win 10 64-bit without fail.

I did encounter an issue on Ubuntu 20.04 LTS recently where installation failed around 40%. However, after a fresh install of Ubuntu, it worked fine. The only difference in the two Ubuntu installations was that in the previous install I installed CUDA Toolkit 11.0 and then installed AmberTools. When I reversed the order on the fresh Ubuntu install (AmberTools installed first and then CUDA Toolkit 11.0), AmberTools worked fine. This issue may just be an incidental occurrence unrelated to CUDA because I did not install the CUDA versions in both the installs. Maybe a fresh Ubuntu install helps you too!

I did encounter one error while installing AmberTools more than once. The error was something like “cmake could not find OpenSSL”. This was resolved by adding the requisite package using the following command in Ubuntu Terminal:

sudo apt-get install libssl-dev

It will be helpful if you could post the error(s) for someone on the list to help you.


From: David A Case<>
Sent: 11 September 2020 00:27
To: AMBER Mailing List<>
Subject: Re: [AMBER] Regarding help in installation (LINUX ubuntu)

On Thu, Sep 10, 2020, swapnil singh wrote:

>I need help for the installation of amber software in my computer. I
>have a LINUX UBUNTU version. I have tried several times to make it done
>but unfortunately there is always some problem...

Be sure you have tried to follow the instructions here:

If you have problems (which is not unlikely, especially if you have no
Linux experience), post details here. Also, see if you can find a friend
who does have more experience to help guide you through the process.
The up-side is that you will be learning things that will be very
helpful in many other areas of scientific computation.


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Received on Fri Sep 11 2020 - 01:30:02 PDT
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