High Performance Computing Center North
This one day course will start by looking at the basic theory, then go on to setting up input scripts for VASP. We will look at general recommendations for common methodologies used, some common issues when setting up a simulation, and also at running VASP on HPC2N. In addition, there will be a hands-on.
VASP - Vienna Ab-initio Simulation Package - is a complex package for performing ab-initio quantum-mechanical molecular dynamics (MD) simulations using pseudopotentials or the projector-augmented wave method and a plane wave basis set.
THIS IS AN OLD COURSE AND EXAMPLE JOB SCRIPTS ARE NO LONGER VALID. THUS, THE ORIGINAL MATERIAL IS NO LONGER AVAILABLE FOR DOWNLOAD!
Please see the main course page for newer, similar courses which may have material available for download.
Participation is free. Coffee/tea will be provided.
Please bring a laptop, and make sure you have an account at SUPR as well as at HPC2N if you want to participate in the hands-on part of the training. There will be a course project that can be used to run the examples in during the hands-on. If you don't have an account at SUPR and/or HPC2N, you will be contacted with further instructions for how to sign up.
Note: Participants are kindly asked to limit the use of fragrances due to perfume intolerance issues. Thank you.
Prerequisites: nothing particular
Instructors: Weine Olovsson, Pedro Ojeda May, Birgitte Brydsö
Time and date: 29. October 2019, 09:00-17:00.
Deadline for registration: 22. October 2019.
Please register by filling in the below form. Fields marked with a * are mandatory. REGISTRATION CLOSED!