namd gromacs raptor lake refresh

Intel Core i9-14900K testing with a ASUS PRIME Z790-P WIFI (1402 BIOS) and ASUS Intel RPL-S 31GB on Ubuntu 23.10 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2402162-PTS-NAMDGROM11.

namd gromacs raptor lake refreshProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorOSKernelDesktopDisplay ServerOpenGLOpenCLCompilerFile-SystemScreen ResolutionahcdIntel Core i9-14900K @ 5.70GHz (24 Cores / 32 Threads)ASUS PRIME Z790-P WIFI (1402 BIOS)Intel Device 7a272 x 16GB DRAM-6000MT/s Corsair CMK32GX5M2B6000C36Western Digital WD_BLACK SN850X 1000GBASUS Intel RPL-S 31GB (1650MHz)Realtek ALC897ASUS VP28UUbuntu 23.106.7.0-060700rc7daily20231224-generic (x86_64)GNOME Shell 45.1X Server 1.21.1.74.6 Mesa 24.0~git2312240600.c05261~oibaf~m (git-c05261a 2023-12-24 mantic-oibaf-ppa)OpenCL 3.0GCC 13.2.0ext41920x1080OpenBenchmarking.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: intel_pstate powersave (EPP: performance) - CPU Microcode: 0x11d - Thermald 2.5.4Security 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: 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 gromacs raptor lake refreshnamd: ATPase with 327,506 Atomsnamd: STMV with 1,066,628 Atomsgromacs: MPI CPU - water_GMX50_bareahcd1.551660.459401.1561.549060.465381.1571.567480.465791.1581.572670.471651.161OpenBenchmarking.org

NAMD

Input: ATPase with 327,506 Atoms

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: ATPase with 327,506 Atomsahcd0.35390.70781.06171.41561.7695SE +/- 0.00685, N = 3SE +/- 0.01210, N = 10SE +/- 0.01179, N = 151.551661.549061.567481.57267

NAMD

Input: STMV with 1,066,628 Atoms

OpenBenchmarking.orgns/day, More Is BetterNAMD 3.0b6Input: STMV with 1,066,628 Atomsahcd0.10610.21220.31830.42440.5305SE +/- 0.00202, N = 3SE +/- 0.00303, N = 3SE +/- 0.00183, N = 30.459400.465380.465790.47165

GROMACS

Implementation: MPI CPU - Input: water_GMX50_bare

OpenBenchmarking.orgNs Per Day, More Is BetterGROMACS 2024Implementation: MPI CPU - Input: water_GMX50_bareahcd0.26120.52240.78361.04481.306SE +/- 0.001, N = 3SE +/- 0.002, N = 3SE +/- 0.002, N = 31.1561.1571.1581.1611. (CXX) g++ options: -O3 -lm

Phoronix Test Suite v10.8.4