namd 3.0

AMD Ryzen Threadripper 7980X 64-Cores testing with a System76 Thelio Major (FA Z5 BIOS) and AMD Radeon RX 6700 XT 12GB on Ubuntu 24.10 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2409231-PTS-NAMD306350&sro.

namd 3.0ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerOpenGLCompilerFile-SystemScreen ResolutionabcdeAMD Ryzen Threadripper 7980X 64-Cores @ 5.37GHz (64 Cores / 128 Threads)System76 Thelio Major (FA Z5 BIOS)AMD Device 14a44 x 32GB DDR5-4800MT/s Micron MTC20F1045S1RC48BA21000GB CT1000T700SSD5AMD Radeon RX 6700 XT 12GBAMD Device 14ccDELL P2415QAquantia AQC113C NBase-T/IEEE + Realtek RTL8125 2.5GbE + Intel Wi-Fi 6EUbuntu 24.106.11.0-7-generic (x86_64)GNOME Shell 47.0X Server + Wayland4.6 Mesa 24.2.2-1ubuntu1 (LLVM 18.1.8 DRM 3.58)GCC 14.2.0ext41920x1200OpenBenchmarking.orgKernel Details- Transparent Huge Pages: madviseProcessor Details- Scaling Governor: amd-pstate-epp powersave (Boost: Enabled EPP: balance_performance) - CPU Microcode: 0xa108105 Security Details- gather_data_sampling: Not affected + itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + reg_file_data_sampling: Not affected + retbleed: Not affected + spec_rstack_overflow: Mitigation of Safe RET + spec_store_bypass: Mitigation of SSB disabled via prctl + spectre_v1: Mitigation of usercopy/swapgs barriers and __user pointer sanitization + spectre_v2: Mitigation of Enhanced / Automatic IBRS; IBPB: conditional; STIBP: always-on; RSB filling; PBRSB-eIBRS: Not affected; BHI: Not affected + srbds: Not affected + tsx_async_abort: Not affected

namd 3.0namd: ATPase with 327,506 Atomsnamd: STMV with 1,066,628 Atomsabcde6.213911.613426.202841.630256.220791.622596.259131.623396.254371.61721OpenBenchmarking.org

NAMD

Input: ATPase with 327,506 Atoms

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0Input: ATPase with 327,506 Atomsabcde246810SE +/- 0.00294, N = 3SE +/- 0.02224, N = 3SE +/- 0.07338, N = 3SE +/- 0.03734, N = 3SE +/- 0.01859, N = 36.213916.202846.220796.259136.25437

NAMD

Input: STMV with 1,066,628 Atoms

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0Input: STMV with 1,066,628 Atomsabcde0.36680.73361.10041.46721.834SE +/- 0.01290, N = 3SE +/- 0.00895, N = 3SE +/- 0.00808, N = 3SE +/- 0.00928, N = 3SE +/- 0.00235, N = 31.613421.630251.622591.623391.61721

Phoronix Test Suite v10.8.5