namd cas

AMD Ryzen AI 9 365 testing with a ASUS Zenbook S 16 UM5606WA_UM5606WA UM5606WA v1.0 (UM5606WA.308 BIOS) and AMD Radeon 512MB 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 2409272-NE-NAMDCAS8523
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namd casOpenBenchmarking.orgPhoronix Test SuiteAMD Ryzen AI 9 365 @ 4.31GHz (10 Cores / 20 Threads)ASUS Zenbook S 16 UM5606WA_UM5606WA UM5606WA v1.0 (UM5606WA.308 BIOS)AMD Device 15074 x 6GB LPDDR5-7500MT/s Micron MT62F1536M32D4DS-0261024GB MTFDKBA1T0QFM-1BD1AABGBAMD Radeon 512MBAMD Rembrandt Radeon HD AudioMEDIATEK Device 7925Ubuntu 24.106.11.0-rc6-phx (x86_64)GNOME Shell 47.0X Server + Wayland4.6 Mesa 24.2.3-1ubuntu1 (LLVM 19.1.0 DRM 3.58)GCC 14.2.0ext42880x1800ProcessorMotherboardChipsetMemoryDiskGraphicsAudioNetworkOSKernelDesktopDisplay ServerOpenGLCompilerFile-SystemScreen ResolutionNamd Cas PerformanceSystem Logs- a: Transparent Huge Pages: madvise- b: amdgpu.dcdebugmask=0x600 - Transparent Huge Pages: madvise- c: amdgpu.dcdebugmask=0x600 - Transparent Huge Pages: madvise- Scaling Governor: amd-pstate-epp powersave (Boost: Enabled EPP: balance_performance) - Platform Profile: balanced - CPU Microcode: 0xb204011 - ACPI Profile: balanced - a: OpenJDK Runtime Environment (build 21.0.5-ea+8-Ubuntu-1)- 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: 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; STIBP: always-on; RSB filling; PBRSB-eIBRS: Not affected; BHI: Not affected + srbds: Not affected + tsx_async_abort: Not affected - b, c: --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-bootstrap --enable-cet --enable-checking=release --enable-clocale=gnu --enable-default-pie --enable-gnu-unique-object --enable-languages=c,ada,c++,go,d,fortran,objc,obj-c++,m2,rust --enable-libphobos-checking=release --enable-libstdcxx-backtrace --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-link-serialization=2 --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-defaulted --enable-offload-targets=nvptx-none=/build/gcc-14-zdkDXv/gcc-14-14.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-14-zdkDXv/gcc-14-14.2.0/debian/tmp-gcn/usr --enable-plugin --enable-shared --enable-threads=posix --host=x86_64-linux-gnu --program-prefix=x86_64-linux-gnu- --target=x86_64-linux-gnu --with-abi=m64 --with-arch-32=i686 --with-build-config=bootstrap-lto-lean --with-default-libstdcxx-abi=new --with-gcc-major-version-only --with-multilib-list=m32,m64,mx32 --with-target-system-zlib=auto --with-tune=generic --without-cuda-driver -v

abcResult OverviewPhoronix Test Suite100%108%116%124%132%NAMDNAMDGROMACSA.w.3.5.AS.w.1.0.6.AMPI CPU - water_GMX50_bare

NAMD

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0Input: ATPase with 327,506 Atomscba0.30510.61020.91531.22041.5255SE +/- 0.01303, N = 31.028941.355801.31628

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0Input: STMV with 1,066,628 Atomscba0.08880.17760.26640.35520.444SE +/- 0.00779, N = 110.304400.394650.30867

GROMACS

The GROMACS (GROningen MAchine for Chemical Simulations) molecular dynamics package testing with the water_GMX50 data. This test profile allows selecting between CPU and GPU-based GROMACS builds. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2024Implementation: MPI CPU - Input: water_GMX50_barecba0.25220.50440.75661.00881.261SE +/- 0.002, N = 31.1211.1071.1201. (CXX) g++ options: -O3 -lm