Installation notes
With cmake update to v3.14.x gromacs is no longer capable of identifying correctly the CPU and therefore the appropriated SIMD level for compilation. If you want to compile gromacs with SIMD while the problem is not solved add the following option to PKGBUILD:
-DGMX_SIMD={AVX_128_FMA, AVX_256, AVX2_256, AVX2_128, AVX_512}
The KEYWORD depends on the SIMD support provided by your CPU.
Use notes
A single executable will be installed: /usr/bin/mdrun_plumed
Pinned Comments
hseara commented on 2019-04-15 20:25
Installation notes
With cmake update to v3.14.x gromacs is no longer capable of identifying correctly the CPU and therefore the appropriated SIMD level for compilation. If you want to compile gromacs with SIMD while the problem is not solved add the following option to PKGBUILD:
The KEYWORD depends on the SIMD support provided by your CPU.
Use notes
A single executable will be installed: /usr/bin/mdrun_plumed