High Performance Computing Center North
The aim of the course is to provide MD users with a set of best practices to improve the performance of their simulations. This will be accomplished by tuning the appropriate SLURM switches and flags proper to the MD packages.
THIS IS AN OLD COURSE AND THE EXAMPLE JOB SCRIPTS ARE NO LONGER VALID. THUS, THAT PART OF THE ORIGINAL MATERIAL IS NO LONGER AVAILABLE FOR DOWNLOAD!
You can find the material for a newer, similar course here: Efficient MD simulations in HPC
Topics to be covered are:
Participation is free. Bring your laptop for the hands-on!
The hands-on will be done on HPC2N's systems, so you will need to have an account at HPC2N and at SUPR (or create such accounts) in order to participate in that part.
Note: Participants are kindly asked to limit the use of fragrances due to perfume intolerance issues. Thank you.
Requirements: A previous knowledge of the MD packages (at least the one(s) you are interested in) is required.
Instructors: Pedro Ojeda May
Time and date: 28 February 2020, 09:00-12:00.
Location: MIT-Huset, room MC305 (Directions to MIT huset here).
Deadline for registration: 21 February 2020.
Please register using this form. All fields marked with * are mandatory. REGISTRATION IS CLOSED! Email email@example.com to hear if it is still possible to join.