gromacs namd laptop

AMD Ryzen 7 7840U testing with a PHX Swift SFE16-43 Ray_PEU (V1.04 BIOS) and AMD Phoenix1 512MB on Ubuntu 23.10 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2402164-NE-GROMACSNA32&grw.

gromacs namd laptopProcessorMotherboardChipsetMemoryDiskGraphicsAudioNetworkOSKernelDesktopDisplay ServerOpenGLCompilerFile-SystemScreen ResolutionabcAMD Ryzen 7 7840U @ 5.29GHz (8 Cores / 16 Threads)PHX Swift SFE16-43 Ray_PEU (V1.04 BIOS)AMD Device 14e84 x 4GB DRAM-6400MT/s K3LKBKB0BM-MGCP1024GB Micron_3400_MTFDKBA1T0TFHAMD Phoenix1 512MB (2700/800MHz)AMD Rembrandt Radeon HD AudioMEDIATEK MT7922 802.11ax PCIUbuntu 23.106.7.0-060700-generic (x86_64)GNOME Shell 45.2X Server + Wayland4.6 Mesa 24.1~git2401230600.42fc83~oibaf~m (git-42fc83a 2024-01-23 mantic-oibaf-ppa) (LLVM 16.0.6 DRM 3.56)GCC 13.2.0ext43200x2000OpenBenchmarking.orgKernel Details- Transparent Huge Pages: madviseCompiler Details- --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 --enable-libphobos-checking=release --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-13-XYspKM/gcc-13-13.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-13-XYspKM/gcc-13-13.2.0/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 Processor Details- Scaling Governor: amd-pstate-epp powersave (EPP: performance) - CPU Microcode: 0xa704101Security Details- gather_data_sampling: Not affected + itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: Not affected + spec_rstack_overflow: Vulnerable: Safe RET no microcode + 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 + srbds: Not affected + tsx_async_abort: Not affected

gromacs namd laptopgromacs: MPI CPU - water_GMX50_barenamd: ATPase with 327,506 Atomsnamd: STMV with 1,066,628 Atomsabc0.8080.820990.209660.8280.805670.224130.8890.953600.26843OpenBenchmarking.org

GROMACS

Implementation: MPI CPU - Input: water_GMX50_bare

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2024Implementation: MPI CPU - Input: water_GMX50_bareabc0.20.40.60.81SE +/- 0.007, N = 30.8080.8280.8891. (CXX) g++ options: -O3 -lm

NAMD

Input: ATPase with 327,506 Atoms

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: ATPase with 327,506 Atomsabc0.21460.42920.64380.85841.073SE +/- 0.01544, N = 120.820990.805670.95360

NAMD

Input: STMV with 1,066,628 Atoms

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: STMV with 1,066,628 Atomsabc0.06040.12080.18120.24160.302SE +/- 0.00207, N = 120.209660.224130.26843

Phoronix Test Suite v10.8.5