Pressure equilibration on Mac not working

GROMACS version: 2024-Homebrew
GROMACS modification: No
Here post your question:
I’ve ran into a problem while following the lysozyme in water tutorial on mdtutorials using a Mac running on an M1+ chip.
On Equilibration step 2. I cannot run the command “gmx grompp -f npt.mdp -c nvt.gro -r nvt.gro -t nvt.cpt -p -o npt.tpr”. No error messages showed up, but a line saying “libunwind: _Unwind_GetDataRelBase - _Unwind_GetDataRelBase() not implemented” did. My friend who is also using a Mac with an M1+ chip reported the same problem. What went wrong here and how can I fix it? Thanks in advance.



Looks like GROMACS is trying to display an error message, but for some reason fails to do so in Homebrew build.

One suggestion would be to build GROMACS from source (download and extract the recent version, then something like cd gromacs-2024 && mkdir build && cd build && cmake .. -DCMAKE_C_COMPILER=/opt/homebrew/bin/gcc-13 -DCMAKE_CXX_COMPILER=/opt/homebrew/bin/g++-13 -DGMX_OPENMP=ON).

That, hopefully, will solve the problem and print the correct error message. If so, please open an issue with Homebrew so they can fix their packaging.

Hello, was this issue resolved? I am running into the same issue trying to build the martini simulation.