diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index a5e55b9bb2d..56552f3a8a0 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -145,12 +145,15 @@ def cmake_args(self): # Activate SIMD based on properties of the target target = self.spec.target - if target >= llnl.util.cpu.targets['bulldozer']: + if target >= llnl.util.cpu.targets['zen2']: + # AMD Family 17h (EPYC Rome) + options.append('-DGMX_SIMD=AVX2_256') + elif target >= llnl.util.cpu.targets['zen']: + # AMD Family 17h (EPYC Naples) + options.append('-DGMX_SIMD=AVX2_128') + elif target >= llnl.util.cpu.targets['bulldozer']: # AMD Family 15h options.append('-DGMX_SIMD=AVX_128_FMA') - elif target >= llnl.util.cpu.targets['zen']: - # AMD Family 17h - options.append('-DGMX_SIMD=AVX2_128') elif target >= llnl.util.cpu.targets['power7']: # IBM Power 7 and beyond options.append('-DGMX_SIMD=IBM_VSX')