GROMACS: fix compilation tests on Eiger#494
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jgphpc merged 2 commits intoeth-cscs:mainfrom Jan 12, 2026
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cscs-ci run alps-daint-uenv;MY_UENV=gromacs/2024:v2 |
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cscs-ci run alps-eiger-uenv;MY_UENV=gromacs/2024:v1 |
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Pull request overview
This PR fixes GROMACS compilation issues on the Eiger system (zen2 architecture) by making build configuration and runtime options architecture-specific and correcting erroneous configuration options.
Changes:
- Corrected CMake configuration options: disabled regression test download, disabled building own FFTW, removed incorrect CP2K option, and standardized option casing
- Made SIMD configuration architecture-specific: ARM_NEON_ASIMD for gh200, AUTO for zen2
- Moved MPS wrapper usage to be gh200-specific in runtime configuration
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jgphpc
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Jan 12, 2026
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Cleanup GROMACS test and fix compilation on
eiger.