GROMACS + NAMD Threadripper 3970X

AMD Ryzen Threadripper 3970X 32-Core testing with a ASUS ROG ZENITH II EXTREME (0702 BIOS) and llvmpipe 63GB on Ubuntu 19.10 via the Phoronix Test Suite.

Compare your own system(s) to this result file with the Phoronix Test Suite by running the command: phoronix-test-suite benchmark 2003022-PTS-GROMACSN76
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Result
Identifier
Performance Per
Dollar
Date
Run
  Test
  Duration
Threadripper 3970X
March 02 2020
  5 Minutes
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GROMACS + NAMD Threadripper 3970X - Phoronix Test Suite

GROMACS + NAMD Threadripper 3970X

AMD Ryzen Threadripper 3970X 32-Core testing with a ASUS ROG ZENITH II EXTREME (0702 BIOS) and llvmpipe 63GB on Ubuntu 19.10 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2003022-PTS-GROMACSN76&grr.

GROMACS + NAMD Threadripper 3970XProcessorMotherboardChipsetMemoryDiskGraphicsAudioNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLCompilerFile-SystemScreen ResolutionThreadripper 3970XAMD Ryzen Threadripper 3970X 32-Core @ 3.70GHz (32 Cores / 64 Threads)ASUS ROG ZENITH II EXTREME (0702 BIOS)AMD Starship/Matisse64GB1000GB Force MP600llvmpipe 63GBAMD Navi 10 HDMI AudioAquantia AQC107 NBase-T/IEEE + Intel I211 + Intel Wi-Fi 6 AX200Ubuntu 19.105.3.0-40-generic (x86_64)GNOME Shell 3.34.1X Server 1.20.5modesetting 1.20.53.3 Mesa 19.2.8 (LLVM 9.0 128 bits)GCC 9.2.1 20191008 + Clang 9.0.0-2ext43840x2160OpenBenchmarking.org- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-bootstrap --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++,gm2 --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-multiarch --enable-multilib --enable-nls --enable-offload-targets=nvptx-none,hsa --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=auto --with-tune=generic --without-cuda-driver -v - Scaling Governor: acpi-cpufreq ondemand - CPU Microcode: 0x8301025- itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + spec_store_bypass: Mitigation of SSB disabled via prctl and seccomp + spectre_v1: Mitigation of usercopy/swapgs barriers and __user pointer sanitization + spectre_v2: Mitigation of Full AMD retpoline IBPB: conditional STIBP: conditional RSB filling + tsx_async_abort: Not affected

GROMACS + NAMD Threadripper 3970Xgromacs: Water Benchmarknamd: ATPase Simulation - 327,506 AtomsThreadripper 3970X3.3350.56176OpenBenchmarking.org

GROMACS

Water Benchmark

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2020Water BenchmarkThreadripper 3970X0.75041.50082.25123.00163.752SE +/- 0.003, N = 33.3351. (CXX) g++ options: -O3 -pthread -lrt -lpthread -lm

NAMD

ATPase Simulation - 327,506 Atoms

OpenBenchmarking.orgdays/ns, Fewer Is BetterNAMD 2.13ATPase Simulation - 327,506 AtomsThreadripper 3970X0.12640.25280.37920.50560.632SE +/- 0.00151, N = 30.56176

Phoronix Test Suite v10.8.4