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.

Compare your own system(s) to this result file with the Phoronix Test Suite by running the command: phoronix-test-suite benchmark 2409231-PTS-NAMD306350
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namd 3.0OpenBenchmarking.orgPhoronix Test SuiteAMD 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 14.2.0ext41920x1200ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerOpenGLCompilerFile-SystemScreen ResolutionNamd 3.0 BenchmarksSystem Logs- Transparent Huge Pages: madvise- Scaling Governor: amd-pstate-epp powersave (Boost: Enabled EPP: balance_performance) - CPU Microcode: 0xa108105 - 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

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

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