Location:
This course will take place face-to-face at The Cosener’s House, 15 - 16 Abbey Close, Abingdon, Oxfordshire, OX14 3JD
Overview
This course will take place over two days.
Day 1 - Hands on introduction to HPC - this day is optional if you are already very familiar with using HPC systems
- 09:00 – 10:00 Connecting to the remote HPC system
- 10:00 – 10:20 Why use an HPC System?
- 10:20 – 11:00 Working on a remote HPC system
- 11:00 – 11:30 Tea/coffee break
- 11:30 – 13:00 Working with the scheduler
- 13:00 – 14:00 Lunch
- 14:00 – 14:45 Accessing software via Modules
- 14:45 – 15:30 Transferring files with remote computers
- 15:30 – 16:00 Tea/coffee break
- 16:00 – 16:40 Using resources effectively
- 16:40 – 17:00 Using shared resources responsibly
Day 2 - An introduction to LAMMPS on ARCHER2
- 09:00 – 10:00 An introduction to LAMMPS on ARCHER2
- 10:00 – 11:00 Setting up a simulation in LAMMPS
- 11:00 – 11:30 Tea/coffee break
- 11:30 – 12:00 Understanding the logfile
- 12:00 – 13:00 Advanced input and output commands
- 13:00 – 14:00 Lunch
- 14:00 – 15:15 Measuring and improving LAMMPS performance (I)
- 15:15 – 15:30 Compiling LAMMPS
- 15:30 – 16:00 Tea/coffee break
- 16:00 – 16:30 Measuring and improving LAMMPS performance (II)
- 16:30 – 17:00 Calling the LAMMPS binary from Python
- 17:00 – 17:15 Event Close-out
Requirements:
Participants must bring a laptop with a Mac, Linux, or Windows operating system (not a tablet, Chromebook, etc.)
Participants are required to abide by the ARCHER2 Code of Conduct.
Timetable:
As above