namd-cuda-results

AMD Ryzen Threadripper 3970X 32-Core testing with a ASRock TRX40 Creator (P1.70 BIOS) and Gigabyte NVIDIA GeForce RTX 2080 Ti 11GB on Debian 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 2104102-HA-NAMDCUDAR45
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namd-cuda-resultsOpenBenchmarking.orgPhoronix Test Suite 10.4.0m1AMD Ryzen Threadripper 3970X 32-Core @ 3.70GHz (32 Cores / 64 Threads)ASRock TRX40 Creator (P1.70 BIOS)AMD Starship/Matisse64GBSamsung SSD 970 EVO 500GB + 2000GB Western Digital WD20EFAX-68FGigabyte NVIDIA GeForce RTX 2080 Ti 11GBNVIDIA TU102 HD AudioDELL E176FPAquantia AQC107 NBase-T/IEEE + Realtek Device 8125 + Intel Device 2723Debian 104.19.0-16-amd64 (x86_64)GNOME Shell 3.30.2X Server 1.20.4NVIDIA 460.674.6.01.2.155GCC 8.3.0 + CUDA 11.2ext41280x1024ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLVulkanCompilerFile-SystemScreen ResolutionNamd-cuda-results PerformanceSystem Logs- Transparent Huge Pages: always- Scaling Governor: acpi-cpufreq ondemand (Boost: Enabled) - CPU Microcode: 0x8301039- 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 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 AtomsGigabyte NVIDIA GeForce RTX 2080 Ti0.02540.05080.07620.10160.127SE +/- 0.00057, N = 30.11291