PRACE Autumn School 2021 - GPU Programming with CUDA

Session

Efficient Implementation of GPU-Accelerated Thermodynamic Integration on the pmemd module of the AMBER simulation package (Part I)

Oct 6, 2021, 9:00 AM

Campus Technik, HSB 5 (ground floor) (University of Innsbruck, Austria)

Conveners

Efficient Implementation of GPU-Accelerated Thermodynamic Integration on the pmemd module of the AMBER simulation package (Part I)

• Tai-Sung Lee (York Lab, Rutgers University, USA)

Description

Lecture & Hands-On

Presentation materials

exercises-gpu-amber.zip

notes-gpu-amber.pdf

Timetable