NOTE: This tutorial page is set up for the Benasque TDDFT school 2016.
Interacting with Cori
- To log in, run
ssh trainXXX@cori.nersc.govin your terminal, substituting the actual name of your training account for
- Be aware that since this machine is far away, you should not try running X-Windows programs.
- We will work with "debug" jobs which can submitted via the provided scripts in each directory. We are using the SLURM queue manager on Cori.
- To copy files from Cori to your local machine, in a terminal on your local machine, write
scp trainXXX@cori.nersc.gov:FULL_PATH_TO_YOUR_FILE .(filling in the username and filename) and enter your password when prompted. For very small ASCII files, you may find cut and paste more convenient.
- To see if you have jobs running, do
squeue -u trainXXX. You should not have more than one in the queue; if you do, cancel them with
scancel JOBID, filling in the number for JOBID from the output of
- Accounts will expire on October 7.
- Cori is actually down for an upgrade since Sept 19, but the files we were using are available if you login to
edison.nersc.govand go to
Documentation and resources
- Octopus variable reference
- BerkeleyGW manual
- Intro slides from first day
- Intro slides from second day
- BerkeleyGW implementation paper on arxiv
- More extensive lecture slides from a longer tutorial devoted solely to BerkeleyGW in November 2015
The first time you log in, execute these lines which will help you see color-coding for what is a link, executable, or directory:
echo 'alias ls="ls --color"' >> ~/.bashrc.ext . ~/.bashrc
Each time you log in, you should do this:
# Load modules module load berkeleygw/1.2 octopus/6.0
# Go to the scratch directory, where all runs should happen. cd $SCRATCH
To begin with the examples,
# List all examples available ls /project/projectdirs/mp149/Benasque2016
# Copy 1-silicon example to your directory cp -R /project/projectdirs/mp149/Benasque2016/1-boron_nitride .
# Go to your local folder and follow instructions cd 1-boron_nitride less README
- Day 1
- 1-boron_nitride, GW
- Day 2