Mark Abraham – The evolution of software practice in GROMACS to suit both the laptop and the exascale

By WebmasterSeRC Event, Event
Registration:
A light lunch will be provided, but please register to ensure that enough food can be ordered:
https://forms.gle/HgkPdqZQa4v3ghAB8 

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, Mark Abraham (the lead developer of GROMACS) will present 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.