These are the instructions for the Octopus tutorial for the 2019 TDDFT School at Rutgers University.
To start, login to cori.nersc.gov. When you are there, download the precompiled Octopus binary with the command
wget -O octopus_cori_tddft2019.tar.gz http://www.tddft.org/programs/octopus/down.php?file=octopus_cori_tddft2019.tar.gz
Once you have the tarball, extract the files with
tar -xvzf octopus_cori_tddft2019.tar.gz
it is VERY IMPORTANT that you do this directly in your home directory.
Now load the environment variables so that Octopus can run correctly
Now you should have the octopus command in your path.
Submit this interactive request:
salloc -q interactive -C knl -t 1:00:00 -N 1
And then (right now after just 20s!) you end up on the node that you are being given and run:
Change directory to where the input is, and then:
Doing the tutorials
Now we are ready to do the tutorials. First, let's learn a bit about Octopus:
Now we can move to do TDDFT calculations
Once you are done, or if you have some special interest check all the Octopus Tutorials for some other things the code can do.