Dear,
We have installed Gromacs 2024 version recently in HPC facility in the University. However, while running MD simulation using Gromacs installed in HPC, it is utilizing only 2 to 11% of GPU. So, it takes long time to complete the calculation for 50 ns or 100 ns. Looking forward the suggestions to solve this issue.
Have you read Getting good performance from mdrun - GROMACS 2024.3 documentation? Have you asked your system administrators?
I’m afraid we can’t help you without more information. What system (size and general composition) are you simulating? What settings are you using, both mdp settings and run submission settings? What is the hardware on the nodes?
may be try these if you arent familiar with how to benchmark gromacs also refer the link suggested above by @MagnusL m