Why does a 6 hour simulation take 54 hours to finish?

Because 48 of them are spent in the cluster queue. Queue time never shows up in a benchmark, but it decides whether a project fits a grant period.

Why molecular dynamics labs are moving to cloud GPUs: dev.to/yobitel/why-...

#GROMACS #HPC

👉 Don't miss the next @bioexcelcoe.bsky.social #Webinar with 〰️Carter! @carterjwilson.bsky.social @mpi-nat.bsky.social #GROMACS #proteins #PMX

📢 Join us for our next webinar where Carter J. Wilson from @compbiophys.bsky.social will present our latest work on quantifying covalent modifications in #proteins

🗓️ 13 October at 15:00 CET
✍️ bioexcel.eu/zu7m

#ComputerSimulation #freeenergy #GROMACS #PMX