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 course will be two half-days. It will have lectures interspersed with some hands-on sessions where you get to try out what you have just learned.
NOTE: The course will be online!
Topics to be covered are:
Agenda, day 1
The course was recorded (lectures) and can be seen on HPC2N's YouTube channel.
Participation is free.
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.
Course project: As part of the hands-on, you will be given temporary access to a course project, which will be used for running the hands-on examples. There are some policies regarding this, that we ask that you follow:
The course uses computing resources provided by the Swedish National Infrastructure for Computing (SNIC) at HPC2N partially funded by the Swedish Research Council through grant agreement no. 2018-05973.
Requirements: A previous knowledge of the MD packages (at least the one(s) you are interested in) is required for the day 1 only.
Instructors: Pedro Ojeda May
Helpers: Mirko Myllykoski, Birgitte Brydsö
Time and date: 26-27 April 2021, 09:00-12:00.
Deadline for registration: 18 April 2021.
Please register using this form. All fields marked with * are mandatory. REGISTRATION CLOSED!