Low Gromacs Performance on WSL Environment

Felicia
Sun, 03 Mar 2024 07:53:29 +0000
User discussions

GROMACS version: 2020.1-Ubuntu-2020.1-1
GROMACS modification: No

Hi, I’m currently working on my Molecular Dynamics (MD) Simulation project using Gromacs in Windows Subsystem for Linux (WSL) Environment. My hardware is Intel(R) Pentium(R) CPU 5405U @ 2.30GHz RAM 4GB with x64-based processor type of system. I’ve completed 10ns mdrun using CHARMM36 FF just fine, but I’m concerned because my result only came out after 9 days and the gromacs performance was pretty low, 1.517 ns/day. I’ve tried uninstalling and updating my gromacs but the performance didn’t improve that much (before gromacs update it was around 0.66 ns/day). I’m wondering if this happened because my hardware is not compatible enough for Gromacs or maybe there’s something i missed? i really appreciate it if there’s someone who can tell me what I can possibly do to solve this. Thanks in advance.

5 posts - 3 participants