Upgrade GPU Performance

GROMACS version: 2021.2
GROMACS modification: No

I want to ask how to optimize GPU in gromacs, I use GPU 1660 Super, and have installed CUDA, I want to ask if GPU memory can in the upgrade, in the following picture I run gromacs but the GPU memory usage is only 679MB even though the 1660 Super memory is 6 GB, how do I upgrade the usage to 5-6 GB?


the simulation will only use enough memory needed to simulate your system. Using more memory won’t do anything for the simulation speed. You can use the larger memory to simulate larger systems but the bottleneck will still be the computational speed of the GPU.


Great thanks, pjohansson