NAMD high end

AMD Ryzen Threadripper 3970X 32-Core testing with a ASUS ROG ZENITH II EXTREME (0702 BIOS) and NVIDIA TITAN RTX 24GB on Ubuntu 20.04 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2009013-PTS-NAMDHIGH15.

NAMD high endProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLCompilerFile-SystemScreen ResolutionAMD Ryzen Threadripper 3970X 32-CoreAMD Ryzen Threadripper 3970X 32-Core @ 3.70GHz (32 Cores / 64 Threads)ASUS ROG ZENITH II EXTREME (0702 BIOS)AMD Starship/Matisse64GB1000GB Corsair Force MP600NVIDIA TITAN RTX 24GB (1350/7000MHz)NVIDIA TU102 HD AudioASUS MG28UAquantia AQC107 NBase-T/IEEE + Intel I211 + Intel Wi-Fi 6 AX200Ubuntu 20.045.4.0-42-generic (x86_64)GNOME Shell 3.36.4X Server 1.20.8NVIDIA 450.36.064.6.0OpenCL 1.2 CUDA 11.0.185GCC 9.3.0 + CUDA 11.0ext43840x2160OpenBenchmarking.org- 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 + srbds: Not affected + tsx_async_abort: Not affected

NAMD high endnamd: ATPase Simulation - 327,506 Atomsnamd-cuda: ATPase Simulation - 327,506 AtomsAMD Ryzen Threadripper 3970X 32-Core0.601710.08576OpenBenchmarking.org

NAMD

ATPase Simulation - 327,506 Atoms

OpenBenchmarking.orgdays/ns, Fewer Is BetterNAMD 2.14ATPase Simulation - 327,506 AtomsAMD Ryzen Threadripper 3970X 32-Core0.13540.27080.40620.54160.677SE +/- 0.00862, N = 30.60171

NAMD CUDA

ATPase Simulation - 327,506 Atoms

OpenBenchmarking.orgdays/ns, Fewer Is BetterNAMD CUDA 2.14ATPase Simulation - 327,506 AtomsAMD Ryzen Threadripper 3970X 32-Core0.01930.03860.05790.07720.0965SE +/- 0.00077, N = 30.08576

Phoronix Test Suite v10.8.4