adl qmcpack

Intel Core i9-12900K testing with a ASUS ROG STRIX Z690-E GAMING WIFI (0811 BIOS) and AMD Radeon RX 6800 XT 16GB on Ubuntu 22.04 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 2202167-PTS-ADLQMCPA02
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February 16 2022
  3 Minutes
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February 16 2022
  3 Minutes
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February 16 2022
  3 Minutes
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February 16 2022
  3 Minutes
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adl qmcpackOpenBenchmarking.orgPhoronix Test SuiteIntel Core i9-12900K @ 6.50GHz (16 Cores / 24 Threads)ASUS ROG STRIX Z690-E GAMING WIFI (0811 BIOS)Intel Device 7aa764GB1000GB Western Digital WDS100T1X0E-00AFY0 + 2000GBAMD Radeon RX 6800 XT 16GB (2575/1000MHz)Intel Device 7ad0ASUS VP28UIntel I225-V + Intel Wi-Fi 6 AX210/AX211/AX411Ubuntu 22.045.17.0-051700rc3daily20220211-generic (x86_64)GNOME Shell 41.3X Server + Wayland4.6 Mesa 22.1.0-devel (git-3d41414 2022-02-13 jammy-oibaf-ppa) (LLVM 13.0.0 DRM 3.44)1.3.204GCC 11.2.0ext43840x2160ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerOpenGLVulkanCompilerFile-SystemScreen ResolutionAdl Qmcpack BenchmarksSystem Logs- Transparent Huge Pages: madvise- --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,brig,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-targets=nvptx-none=/build/gcc-11-O5cEXJ/gcc-11-11.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-11-O5cEXJ/gcc-11-11.2.0/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 - Scaling Governor: intel_pstate powersave (EPP: balance_performance) - CPU Microcode: 0x15 - Thermald 2.4.7- Python 3.9.10- itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: 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 IBRS IBPB: conditional RSB filling + srbds: Not affected + tsx_async_abort: Not affected

QMCPACK

QMCPACK is a modern high-performance open-source Quantum Monte Carlo (QMC) simulation code making use of MPI for this benchmark of the H20 example code. QMCPACK is an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids. QMCPACK is supported by the U.S. Department of Energy. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.13Input: simple-H2OABCD1020304050SE +/- 0.13, N = 3SE +/- 0.10, N = 3SE +/- 0.04, N = 3SE +/- 0.15, N = 343.7643.4943.6043.641. (CXX) g++ options: -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl
OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.13Input: simple-H2OABCD918273645Min: 43.55 / Avg: 43.76 / Max: 43.99Min: 43.32 / Avg: 43.49 / Max: 43.66Min: 43.52 / Avg: 43.6 / Max: 43.64Min: 43.46 / Avg: 43.64 / Max: 43.941. (CXX) g++ options: -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl