For Ubuntu 20.04 I can only install from CUDA 11.x onwards, But Amber asks for up to CUDA 10.2.
I hope these steps will help you:
1) Download the Amber20 source code from the Amber website.
2) Extract the Amber20 source code to a directory of your choice.
3) Navigate to the Amber20 source code directory and run the configure script with the following options:
"./configure -cuda /usr/local/cuda"
4) compile Amber20 by running:
"make -j"
5) you can install Amber20 by running:
"make install", will install Amber20 to the default location /usr/local/amber20
6) you will need to set the environment variables for Amber20. Add the following lines to your .bashrc file:
"
export AMBERHOME=/usr/local/amber20
export PATH=$PATH:$AMBERHOME/bin
"
Remember to source the .bashrc file or open a new terminal to apply the changes.
That's it! You should now have Amber20 with CUDA installed on your Ubuntu 20.04 system.
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