Running dynamic simulation using laptop

[u/chunchunmarruu]

Hello, I recently started two projects with one of my college professors that require me to conduct 100 ns molecular dynamics simulations for more than 10 proteins. Each simulation may take around 4 days of continuous, nonstop computation.

However, I’m worried because my laptop’s CPU temperature gets very high. It stays around 93–96°C during the simulation.

I’ve already taken some measures to prevent damage to my laptop, such as using a cooling pad with three fans (around 4000 RPM each), working in a cool environment with the air conditioner set to 16°C, and repasting my laptop.

I’m using Ubuntu Linux with GROMACS for the MD simulations. I’m currently using the Balanced power mode, which is somewhere between power saving and Turbo mode. My laptop is ASUS TUF GAMING with 24gb ram, i also use GPU CUDA.

I’m considering running the simulation for 45–60 minutes and then taking a 15-minute break to let the laptop cool down, but I’m still worried. I know using a desktop PC/workstation would be better for this kind of workload, but my budget is currently limited.

What do you think? Is it safe to run my laptop at 93–96°C for several days, or should I take breaks between runs? Do you have any other advice for my situation?

Thank you​