gromacs cp2k

Intel Core i7-4960X testing with a MSI X79MA-GD45 (MS-7738) v1.0 (V3.8 BIOS) and AMD FirePro V4800 1GB on Ubuntu 18.04 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/1906166-HV-GROMACSCP10&grr.

gromacs cp2kProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLCompilerFile-SystemScreen ResolutionIntel Core i7-4960XIntel Core i7-4960X @ 4.00GHz (6 Cores / 12 Threads)MSI X79MA-GD45 (MS-7738) v1.0 (V3.8 BIOS)Intel Xeon E7 v2/Xeon8192MBVisionTek 240GBAMD FirePro V4800 1GBRealtek ALC892VA2431Realtek RTL8111/8168/8411Ubuntu 18.044.18.0-21-generic (x86_64)GNOME Shell 3.28.3X Server 1.20.1modesetting 1.20.13.3 Mesa 18.2.8 (LLVM 7.0.0)GCC 7.4.0ext41920x1080OpenBenchmarking.org- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-checking=release --enable-clocale=gnu --enable-default-pie --enable-gnu-unique-object --enable-languages=c,ada,c++,go,brig,d,fortran,objc,obj-c++ --enable-libmpx --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none --enable-plugin --enable-shared --enable-threads=posix --host=x86_64-linux-gnu --program-prefix=x86_64-linux-gnu- --target=x86_64-linux-gnu --with-abi=m64 --with-arch-32=i686 --with-default-libstdcxx-abi=new --with-gcc-major-version-only --with-multilib-list=m32,m64,mx32 --with-target-system-zlib --with-tune=generic --without-cuda-driver -v - Scaling Governor: intel_pstate powersave- l1tf: Mitigation of PTE Inversion + mds: Mitigation of Clear buffers; SMT vulnerable + meltdown: Mitigation of PTI + spec_store_bypass: Vulnerable + spectre_v1: Mitigation of __user pointer sanitization + spectre_v2: Vulnerable IBPB: disabled STIBP: disabled

gromacs cp2kgromacs: Water Benchmarkcp2k: Fayalite-FIST DataIntel Core i7-4960X0.39923725.30OpenBenchmarking.org

GROMACS

Water Benchmark

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2018.3Water BenchmarkIntel Core i7-4960X0.08780.17560.26340.35120.439SE +/- 0.00, N = 30.391. (CXX) g++ options: -mavx -std=c++11 -O3 -funroll-all-loops -fopenmp -lrt -lpthread -lm

CP2K Molecular Dynamics

Fayalite-FIST Data

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 6.1Fayalite-FIST DataIntel Core i7-4960X200K400K600K800K1000K923725.30

Phoronix Test Suite v10.8.4