I’ve analyzed the gromacs computational chemistry application using three sample workloads and created an analysis page for the results as well as added them to the overall workload summary. This post describes a few higher-level takeaways I have from the … Continue reading →
I downloaded and built gromacs from www.gromacs.org and used the 5.1.5 version because some of the tutorials/benchmarks still refer to this older version. This post documents steps I used to run gromacs 5.1.5 on a Ryzen processor.
Continue reading →This post documents steps I used to build, install and run gromacs. gromacs is a molecular dynamics package for simulating proteins, lipids and nucleic acids. It seems to be one of the more common HPC applications. My interest is less … Continue reading →