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Table of Contents
Connecting to the HPC cluster
This is a short tutorial on how to connect to the HPC installations of Newcastle University from the Windows machines available
Using PuTTY
PuTTY is a so-called SSH client for Windows that allows you to establish a secure connection to remote UNIX machines, such as the HPC cluster here at Newcastle University. Look for it in the search bar and open the App.
In the `Host Name (or IP address)` field, write the following:
nconexs##@rocket.hpc.ncl.ac.uk
where `##` stands for your CONEXS id number. Make sure the `SSH` box is ticked and click `Open`. A black window (bash terminal) will open and your password will be required to finish the connecting process.
If you are familiar with UNIX/Linux style terminals, using PuTTY will be enough. If not, you might want to have a more graphical representation of your file system as well. This is possible using the Win SCP software.
Using WinSCP
WinSCP is a software that allows you to browse the file system of a remote machine graphically. It is readily installed on the available Windows machines. Look for in the search bar and open the App.
Keep the default `SFTP` file protocol and type `rocket.hpc.ncl.ac.uk` in the `Host name` field, `nconexs##` in `User name` and your password in the corrsponding file. Hit Login and browse!
Going to the proper directory
In your PuTTY terminal, type the following:
cd /nobackup/nconexs##/
`cd` is the bash command allowing you to move from a directory to another. If you then type the `ls` command, the files contained in this directory will be listed.
To browse to the same file in WinSCP, use the top right field (currently displaying `nconexs##`) and first go to `/ <root>`, then `nobackup` and finally your `nconexs##` directory. You should see the same files as in the WinSCP terminal.
Launching a CP2K calculation
The `cp2k.sh` file contains a set of (machine) instructions that allows you to run a job in parallel on the HPC cluster. You can open and edit this file directly in the PuTTY terminal or through WinSCP.