REST2 with Gromacs2025/2024.6

[Wayne Liang]

Hello all,

I was trying to run REST2 with Gromacs on RTX5080 cards. However, none of the following combinations work:

1. Gromacs 2025.0 (also 2025.2) patched with plumed 2.10 (with -DGMX_USE_PLUMED=ON): 

Gromacs compilation error (plumed header repetition)

2. Gromacs 2025.0 (also 2025.2) patched with plumed 2.10 (without -DGMX_USE_PLUMED=ON): 

gmx mdrun complains about non plumed compilation

 3. Gromacs 2024.6 patched with plumed 2.10 (also 2.9.4):

REST2 runs through, but the dE_Term = 0 and exchange ratio always 1.0

3. Gromacs 2024.5 and before:

Do not support RTX5080

Thanks for any hints or suggestions.