Course/Event Essentials
Event/Course Start
Event/Course End
Event/Course Format
Online
Live (synchronous)
Primary Event/Course URL
Training Content and Scope
Technical Domain
Level of Instruction
Intermediate
Advanced
Sector of the Target Audience
Research and Academia
HPC Profile of Target Audience
Application Users
Language of Instruction
Other Information
Organiser
Supporting Project(s)
BioExcel-2
Event/Course Description
This course gives advanced practical tips on how to run GROMACS MD simulations efficiently on modern hardware including both CPUs and GPUs. In addition to speeding up MD simulations, also workflow automation, advanced sampling techniques and future developments are discussed. CSC's Puhti supercomputer will be used for the hands-on exercises.
The course consists of lectures and hands-on exercises. GROMACS will be used in the exercise sessions.
The event is organized in collaboration with BioExcel, CSC, ENCCS and supported by EuroCC.