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&grw .
namd 3.0 Processor Motherboard Chipset Memory Disk Graphics Audio Monitor Network OS Kernel Desktop Display Server OpenGL Compiler File-System Screen Resolution a b c d e AMD Ryzen Threadripper 7980X 64-Cores @ 5.37GHz (64 Cores / 128 Threads) System76 Thelio Major (FA Z5 BIOS) AMD Device 14a4 4 x 32GB DDR5-4800MT/s Micron MTC20F1045S1RC48BA2 1000GB CT1000T700SSD5 AMD Radeon RX 6700 XT 12GB AMD Device 14cc DELL P2415Q Aquantia AQC113C NBase-T/IEEE + Realtek RTL8125 2.5GbE + Intel Wi-Fi 6E Ubuntu 24.10 6.11.0-7-generic (x86_64) GNOME Shell 47.0 X Server + Wayland 4.6 Mesa 24.2.2-1ubuntu1 (LLVM 18.1.8 DRM 3.58) GCC 14.2.0 ext4 1920x1200 OpenBenchmarking.org Kernel Details - Transparent Huge Pages: madvise Processor 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 3.0 namd: ATPase with 327,506 Atoms namd: STMV with 1,066,628 Atoms a b c d e 6.21391 1.61342 6.20284 1.63025 6.22079 1.62259 6.25913 1.62339 6.25437 1.61721 OpenBenchmarking.org
NAMD Input: ATPase with 327,506 Atoms OpenBenchmarking.org ns/day, More Is Better NAMD 3.0 Input: ATPase with 327,506 Atoms a b c d e 2 4 6 8 10 SE +/- 0.00294, N = 3 SE +/- 0.02224, N = 3 SE +/- 0.07338, N = 3 SE +/- 0.03734, N = 3 SE +/- 0.01859, N = 3 6.21391 6.20284 6.22079 6.25913 6.25437
NAMD Input: STMV with 1,066,628 Atoms OpenBenchmarking.org ns/day, More Is Better NAMD 3.0 Input: STMV with 1,066,628 Atoms a b c d e 0.3668 0.7336 1.1004 1.4672 1.834 SE +/- 0.01290, N = 3 SE +/- 0.00895, N = 3 SE +/- 0.00808, N = 3 SE +/- 0.00928, N = 3 SE +/- 0.00235, N = 3 1.61342 1.63025 1.62259 1.62339 1.61721
Phoronix Test Suite v10.8.5