From c2b33b444411872641f27b7a8728cd28d8fb934e Mon Sep 17 00:00:00 2001 From: Gvozden Neskovic Date: Tue, 8 Sep 2020 14:52:56 +0200 Subject: gromacs: add zen2 target SIMD optimizations (#18551) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Gvozden Nešković --- var/spack/repos/builtin/packages/gromacs/package.py | 11 +++++++---- 1 file changed, 7 insertions(+), 4 deletions(-) diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index a5e55b9bb2..56552f3a8a 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -145,12 +145,15 @@ class Gromacs(CMakePackage): # Activate SIMD based on properties of the target target = self.spec.target - if target >= llnl.util.cpu.targets['bulldozer']: - # AMD Family 15h - options.append('-DGMX_SIMD=AVX_128_FMA') + 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 + # 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['power7']: # IBM Power 7 and beyond options.append('-DGMX_SIMD=IBM_VSX') -- cgit v1.2.3-70-g09d2