Tools for running Python on Grace

Quickstart

Option A: Anaconda Python environment on Grace

Copy the setup script to Grace

# Linux
scp setup_anaconda_on_grace.sh [email protected]:~

(Grace) Install new Anaconda environment

source ./setup_anaconda_on_grace.sh

Re-login and enjoy Python

Option B: Jupyter in PC's browser connected to a remote kernel on Grace

(Grace) install ipython, ipykernel

The easiest way is to follow the instructions above and use Anaconda

(local PC) Enable passwordless ssh login to Grace

# Linux
ssh-keygen
ssh-copy-id -i ~/.ssh/id_rsa.pub [email protected]

Windows: follow putty instructions

Try logging to Grace (login mode)

Should be without password by now

(local PC) Create a Jupyter kernel config file to connect to Grace

If you use Anaconda on your PC, the following commands need to be run in Anaconda prompt

(local PC) Install remote_ikernel utility

WARNING: Not yet compatible with Windows. Hopefully will be soon.

pip install remote_ikernel

(local PC) Run the script

# Linux
bash add_rik_grace_lsf.sh

# Windows
remote_ikernel manage --add \
                      --name='Python on Grace' \
                      --kernel_cmd='ipython kernel -f {connection_file}' \
                      --interface=lsf \
                      --verbose \
                      --remote-launch-args='-q interactive' \
                      --tunnel-hosts [email protected] \
                      --workdir='$HOME'

(local PC) Jupyter Notebook

jupyter notebook

In the drop-down menu select the new kernel