namd 2.14 new

AMD Ryzen Threadripper 3960X 24-Core testing with a MSI Creator TRX40 (MS-7C59) v1.0 (1.12N1 BIOS) and Sapphire AMD Radeon RX 5500/5500M / Pro 5500M 4GB on Ubuntu 20.04 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2008204-NE-NAMD214NE34.

namd 2.14 newProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLCompilerFile-SystemScreen ResolutionTR 3960XAMD Ryzen Threadripper 3960X 24-CoreVerification Run AgainAMD Ryzen Threadripper 3960X 24-Core @ 3.80GHz (24 Cores / 48 Threads)MSI Creator TRX40 (MS-7C59) v1.0 (1.12N1 BIOS)AMD Starship/Matisse32GB1000GB Sabrent Rocket 4.0 1TBSapphire AMD Radeon RX 5500/5500M / Pro 5500M 4GB (1900/875MHz)AMD Navi 10 HDMI AudioASUS MG28UAquantia AQC107 NBase-T/IEEE + Intel I211 + Intel Wi-Fi 6 AX200Ubuntu 20.045.4.0-42-generic (x86_64)GNOME Shell 3.36.3X Server 1.20.8modesetting 1.20.84.6 Mesa 20.0.8 (LLVM 10.0.0)GCC 9.3.0ext43840x2160OpenBenchmarking.orgProcessor Details- Scaling Governor: acpi-cpufreq ondemand - CPU Microcode: 0x8301025Security Details- 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 2.14 newnamd: ATPase Simulation - 327,506 AtomsDifferenceStandard DeviationTR 3960XAMD Ryzen Threadripper 3960X 24-CoreVerification Run Again0.713971.00x0.69%0.710891.01x0.81%0.714821.00x0.20%OpenBenchmarking.org

NAMD

ATPase Simulation - 327,506 Atoms

OpenBenchmarking.orgdays/ns, Fewer Is BetterNAMD 2.14ATPase Simulation - 327,506 AtomsTR 3960XAMD Ryzen Threadripper 3960X 24-CoreVerification Run Again0.16080.32160.48240.64320.804SE +/- 0.00284, N = 3SE +/- 0.00334, N = 3SE +/- 0.00082, N = 30.713970.710890.71482

Phoronix Test Suite v10.8.4