AVX2_256 Doesn't Build?

User discussions
1

GROMACS version: 2023.3
GROMACS modification: No

System Specifications:
CPU: Ryzen 7 3700X
GPU: NVIDIA Geforce GT 1030
RAM: 16 GB
OS: Fedora 39
SIMD support: AVX2

Question:
I have been trying to build GROMACS for my computer, but it has giving me issues. Namely, I configure my build using the following command:
cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ -DGMX_GPU=CUDA -DGMX_SIMD=AVX2_256

The problem is when I finish installing GROMACS and run gmx --version I get the following entry under SIMD instructions: SSE2.

Does anyone have any idea why this might be?

2

Do you have multiple GROMACS installations on your system? Are you sure you are using the right binary when you run gmx --version?

3

Thank you for the tip. I realized I also had gromacs installed from my package manager, which was taking precedence over the copy I had compiled from source.