namd-214

Intel Xeon w9-3495X testing with a ASUS Pro WS W790E-SAGE SE (0705 BIOS) and NVIDIA GeForce RTX 4090 24GB on Ubuntu 22.04 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 2311218-NE-NAMD2142840
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Nvidia Geforce RTX 4090 24GB
November 21 2023
  13 Minutes
Intel Xeon w9-3495X
November 21 2023
  20 Minutes
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namd-214OpenBenchmarking.orgPhoronix Test SuiteIntel Xeon w9-3495X @ 4.80GHz (56 Cores / 112 Threads)ASUS Pro WS W790E-SAGE SE (0705 BIOS)Intel Device 7aa78 x 32 GB DDR5-4812MT/s Hynix HMCG88AEBRA115N6401GB Micron_9300_MTFDHAL6T4TDR + 0GB Virtual HDisk0NVIDIA GeForce RTX 4090 24GBRealtek ALC12202 x Intel X710 for 10GBASE-TUbuntu 22.046.3.0-060300-generic (x86_64)GNOME Shell 42.9X Server 1.21.1.4NVIDIA 535.129.034.6.0OpenCL 3.0 CUDA 12.2.1471.3.242GCC 11.4.0 + CUDA 12.1ext41920x1200ProcessorMotherboardChipsetMemoryDiskGraphicsAudioNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLVulkanCompilerFile-SystemScreen ResolutionNamd-214 BenchmarksSystem Logs- Transparent Huge Pages: madvise- Scaling Governor: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x2b0004d0 - Nvidia Geforce RTX 4090 24GB: BAR1 / Visible vRAM Size: 32768 MiB - vBIOS Version: 95.02.20.00.03 - itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: Not affected + 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 RSB filling PBRSB-eIBRS: SW sequence + srbds: Not affected + tsx_async_abort: Not affected

namd-214namd-cuda: ATPase Simulation - 327,506 Atomsnamd: ATPase Simulation - 327,506 AtomsNvidia Geforce RTX 4090 24GBIntel Xeon w9-3495X0.137541.30776OpenBenchmarking.org

NAMD CUDA

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD was developed by the Theoretical and Computational Biophysics Group in the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign. This version of the NAMD test profile uses CUDA GPU acceleration. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgdays/ns, Fewer Is BetterNAMD CUDA 2.14ATPase Simulation - 327,506 AtomsNvidia Geforce RTX 4090 24GB0.03090.06180.09270.12360.1545SE +/- 0.00372, N = 150.13754

NAMD

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD was developed by the Theoretical and Computational Biophysics Group in the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgdays/ns, Fewer Is BetterNAMD 2.14ATPase Simulation - 327,506 AtomsIntel Xeon w9-3495X0.29420.58840.88261.17681.471SE +/- 0.01409, N = 151.30776