PDC-SeRC seminar: "The evolution of software practice in GROMACS to suit both the laptop and the exascale"

PDC and SeRC are hosting a series of seminars about e-Science where SeRC members and other interested researchers and students can meet to exchange ideas and listen to inspiring e-Science presentations by outstanding researchers.

Time: Wed 2019-04-24 12.00 - 13.00

Lecturer: Mark Abraham, Development Manager of the GROMACS molecular dynamics package

Location: SeRC seminar room, Teknikringen 14 (5th floor), PDC, KTH

Contact:

PDC and SeRC are hosting a series of seminars about e-Science where SeRC members and other interested researchers and students can meet to exchange ideas and listen to inspiring e-Science presentations by outstanding researchers.

Description

GROMACS is a free, open-source molecular dynamics package mainly designed for simulations of proteins, lipids, and nucleic acids. It is one of the fastest and most popular scientific software packages available, and can run on central processing units (CPUs) and graphics processing units (GPUs). In this talk you will learn about the scientific software development practices that are strictly adhered to in the GROMACS project in order to ensure high code quality, extreme performance, and portability across hardware platforms.

Registration

A light lunch will be provided, so please register for this event here , as a list of participants is needed for "administrative purposes" (in other words, to work out how many lunches to order!).