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&export=txt .
GROMACS + NAMD Threadripper 3970X Processor Motherboard Chipset Memory Disk Graphics Audio Network OS Kernel Desktop Display Server Display Driver OpenGL Compiler File-System Screen Resolution Threadripper 3970X AMD Ryzen Threadripper 3970X 32-Core @ 3.70GHz (32 Cores / 64 Threads) ASUS ROG ZENITH II EXTREME (0702 BIOS) AMD Starship/Matisse 64GB 1000GB Force MP600 llvmpipe 63GB AMD Navi 10 HDMI Audio Aquantia AQC107 NBase-T/IEEE + Intel I211 + Intel Wi-Fi 6 AX200 Ubuntu 19.10 5.3.0-40-generic (x86_64) GNOME Shell 3.34.1 X Server 1.20.5 modesetting 1.20.5 3.3 Mesa 19.2.8 (LLVM 9.0 128 bits) GCC 9.2.1 20191008 + Clang 9.0.0-2 ext4 3840x2160 OpenBenchmarking.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 3970X namd: ATPase Simulation - 327,506 Atoms gromacs: Water Benchmark Threadripper 3970X 0.56176 3.335 OpenBenchmarking.org
NAMD ATPase Simulation - 327,506 Atoms OpenBenchmarking.org days/ns, Fewer Is Better NAMD 2.13 ATPase Simulation - 327,506 Atoms Threadripper 3970X 0.1264 0.2528 0.3792 0.5056 0.632 SE +/- 0.00151, N = 3 0.56176
GROMACS Water Benchmark OpenBenchmarking.org Ns Per Day, More Is Better GROMACS 2020 Water Benchmark Threadripper 3970X 0.7504 1.5008 2.2512 3.0016 3.752 SE +/- 0.003, N = 3 3.335 1. (CXX) g++ options: -O3 -pthread -lrt -lpthread -lm
Phoronix Test Suite v10.8.5