arl qmc

Intel Core Ultra 9 285K testing with a ASUS ROG MAXIMUS Z890 HERO (1203 BIOS) and ASUS NVIDIA GeForce RTX 5090 32GB on Ubuntu 24.10 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2502076-PTS-ARLQMC2117&grw.

arl qmcProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLOpenCLCompilerFile-SystemScreen ResolutionabcIntel Core Ultra 9 285K @ 5.10GHz (24 Cores)ASUS ROG MAXIMUS Z890 HERO (1203 BIOS)Intel Device ae7f2 x 16GB DDR5-6400MT/s Micron CP16G64C38U5B.M8D14001GB Western Digital WD_BLACK SN850X 4000GB + 1000GB Western Digital WDS100T1X0E-00AFY0ASUS NVIDIA GeForce RTX 5090 32GBIntel Device 7f50ASUS VP28URealtek Device 8126 + Intel I226-V + Intel Wi-Fi 7Ubuntu 24.106.11.0-14-generic (x86_64)GNOME Shell 47.0X Server 1.21.1.13NVIDIA 570.86.164.6.0OpenCL 3.0 CUDA 12.8.51GCC 14.2.0 + CUDA 12.8ext43840x2160OpenBenchmarking.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,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 Processor Details- Scaling Governor: intel_pstate powersave (EPP: balance_performance) - CPU Microcode: 0x114 - Thermald 2.5.8Python Details- Python 3.12.7Security Details- 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; RSB filling; PBRSB-eIBRS: Not affected; BHI: Not affected + srbds: Not affected + tsx_async_abort: Not affected

arl qmcqmcpack: H4_aeqmcpack: Li2_STO_aeqmcpack: LiH_ae_MSDqmcpack: O_ae_pyscf_UHFqmcpack: FeCO6_b3lyp_gmsabc10.047113.7785.406145.61137.619.894116.0585.639145.01138.0310.026116.1086.013144.02137.72OpenBenchmarking.org

QMCPACK

Input: H4_ae

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 4.0Input: H4_aeabc3691215SE +/- 0.095, N = 3SE +/- 0.091, N = 15SE +/- 0.106, N = 510.0479.89410.0261. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

QMCPACK

Input: Li2_STO_ae

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 4.0Input: Li2_STO_aeabc306090120150SE +/- 0.37, N = 3SE +/- 0.98, N = 3SE +/- 0.96, N = 12113.77116.05116.101. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

QMCPACK

Input: LiH_ae_MSD

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 4.0Input: LiH_ae_MSDabc20406080100SE +/- 0.23, N = 3SE +/- 0.21, N = 3SE +/- 0.26, N = 385.4185.6486.011. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

QMCPACK

Input: O_ae_pyscf_UHF

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 4.0Input: O_ae_pyscf_UHFabc306090120150SE +/- 1.56, N = 4SE +/- 1.28, N = 3SE +/- 0.61, N = 3145.61145.01144.021. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

QMCPACK

Input: FeCO6_b3lyp_gms

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 4.0Input: FeCO6_b3lyp_gmsabc306090120150SE +/- 0.28, N = 3SE +/- 0.21, N = 3SE +/- 0.19, N = 3137.61138.03137.721. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl

Phoronix Test Suite v10.8.5