diff --git a/easybuild/easyblocks/g/gromacs.py b/easybuild/easyblocks/g/gromacs.py index 39959335531..68373570f1b 100644 --- a/easybuild/easyblocks/g/gromacs.py +++ b/easybuild/easyblocks/g/gromacs.py @@ -117,13 +117,13 @@ def get_gromacs_arch(self): # http://manual.gromacs.org/documentation/2018/install-guide/index.html#simd-support if 'MIC-AVX512' in optarch and LooseVersion(self.version) >= LooseVersion('2016'): res = 'AVX_512_KNL' - elif 'AVX512' in optarch and LooseVersion(self.version) >= LooseVersion('2016'): + elif ('AVX512' in optarch or 'X86-64-V4' in optarch) and LooseVersion(self.version) >= LooseVersion('2016'): res = 'AVX_512' - elif 'AVX2' in optarch and LooseVersion(self.version) >= LooseVersion('5.0'): + elif ('AVX2' in optarch or 'X86-64-V3' in optarch) and LooseVersion(self.version) >= LooseVersion('5.0'): res = 'AVX2_256' elif 'AVX' in optarch: res = 'AVX_256' - elif 'SSE3' in optarch or 'SSE2' in optarch or 'MARCH=NOCONA' in optarch: + elif 'SSE3' in optarch or 'SSE2' in optarch or 'MARCH=NOCONA' in optarch or 'X86-64-V2' in optarch: # Gromacs doesn't have any GMX_SIMD=SSE3 but only SSE2 and SSE4.1 [1]. # According to [2] the performance difference between SSE2 and SSE4.1 is minor on x86 # and SSE4.1 is not supported by AMD Magny-Cours[1].