qmcpack 3990X

AMD Ryzen Threadripper 3990X 64-Core testing with a Gigabyte TRX40 AORUS PRO WIFI (F4p BIOS) and AMD Radeon RX 5700 8GB on Pop 21.10 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 2202166-PTS-QMCPACK393
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February 16 2022
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February 16 2022
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qmcpack 3990XOpenBenchmarking.orgPhoronix Test SuiteAMD Ryzen Threadripper 3990X 64-Core @ 2.90GHz (64 Cores / 128 Threads)Gigabyte TRX40 AORUS PRO WIFI (F4p BIOS)AMD Starship/Matisse128GBSamsung SSD 970 EVO Plus 500GBAMD Radeon RX 5700 8GB (1750/875MHz)AMD Navi 10 HDMI AudioDELL P2415QIntel I211 + Intel Wi-Fi 6 AX200Pop 21.105.15.8-76051508-generic (x86_64)GNOME Shell 40.5X Server4.6 Mesa 21.2.2 (LLVM 12.0.1)1.2.182GCC 11.2.0ext43840x2160ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerOpenGLVulkanCompilerFile-SystemScreen ResolutionQmcpack 3990X 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-ZPT0kp/gcc-11-11.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-11-ZPT0kp/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: acpi-cpufreq schedutil (Boost: Enabled) - CPU Microcode: 0x8301039- Python 3.9.7- itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + spec_store_bypass: Mitigation of SSB disabled via prctl and seccomp + spectre_v1: Mitigation of usercopy/swapgs barriers and __user pointer sanitization + spectre_v2: Mitigation of Full AMD retpoline IBPB: conditional STIBP: 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-H2OABC816243240SE +/- 0.29, N = 3SE +/- 0.11, N = 3SE +/- 0.28, N = 334.8735.1435.001. (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-H2OABC816243240Min: 34.28 / Avg: 34.87 / Max: 35.19Min: 34.94 / Avg: 35.14 / Max: 35.3Min: 34.48 / Avg: 35 / Max: 35.441. (CXX) g++ options: -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -lm -ldl