qmcpack1

4 x Intel Xeon Gold 6130 testing with a Dell PowerEdge R940 [0D41HC] (2.15.1 BIOS) and Matrox G200eW3 on Debian GNU/Linux 11 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2308153-NE-QMCPACK1518.

qmcpack1ProcessorMotherboardChipsetMemoryDiskGraphicsNetworkOSKernelVulkanCompilerFile-SystemScreen Resolutionpatched4 x Intel Xeon Gold 6130 @ 3.70GHz (64 Cores / 128 Threads)Dell PowerEdge R940 [0D41HC] (2.15.1 BIOS)Intel Sky Lake-E DMI3 Registers24 x 32 GB DDR4-2666MT/s 36ASF4G72PZ-2G6D11600GB Dell Flash PM1725b 1.6TB AIC + 1600GB Dell Flash NVMe PM1725 1.6TB AIC + 480GB INTEL SSDSC2KG480G7RMatrox G200eW34 x Intel X710 for 10GbE SFP+Debian GNU/Linux 116.1.38 (x86_64)1.0.2GCC 10.2.1 20210110ext41024x768OpenBenchmarking.org- Transparent Huge Pages: always- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-bootstrap --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-mutex --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-10-Km9U7s/gcc-10-10.2.1/debian/tmp-gcn/usr,hsa --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 performance (EPP: performance) - CPU Microcode: 0x2006e05- Python 3.9.2- itlb_multihit: KVM: Mitigation of VMX disabled + l1tf: Mitigation of PTE Inversion; VMX: conditional cache flushes SMT vulnerable + mds: Mitigation of Clear buffers; SMT vulnerable + meltdown: Mitigation of PTI + mmio_stale_data: Mitigation of Clear buffers; SMT vulnerable + retbleed: Mitigation of IBRS + spec_store_bypass: Mitigation of SSB disabled via prctl + spectre_v1: Mitigation of usercopy/swapgs barriers and __user pointer sanitization + spectre_v2: Mitigation of IBRS IBPB: conditional STIBP: conditional RSB filling PBRSB-eIBRS: Not affected + srbds: Not affected + tsx_async_abort: Mitigation of Clear buffers; SMT vulnerable

qmcpack1qmcpack: Li2_STO_aeqmcpack: simple-H2Oqmcpack: FeCO6_b3lyp_gmsqmcpack: FeCO6_b3lyp_gmspatched192.2659.785351.30428.91OpenBenchmarking.org

QMCPACK

Input: Li2_STO_ae

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.16Input: Li2_STO_aepatched4080120160200SE +/- 2.62, N = 3192.261. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -pthread -lm -ldl

QMCPACK

Input: simple-H2O

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.16Input: simple-H2Opatched1326395265SE +/- 0.04, N = 359.791. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -pthread -lm -ldl

QMCPACK

Input: FeCO6_b3lyp_gms

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.16Input: FeCO6_b3lyp_gmspatched80160240320400SE +/- 0.11, N = 3351.301. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -pthread -lm -ldl

QMCPACK

Input: FeCO6_b3lyp_gms

OpenBenchmarking.orgTotal Execution Time - Seconds, Fewer Is BetterQMCPACK 3.16Input: FeCO6_b3lyp_gmspatched90180270360450SE +/- 6.90, N = 9428.911. (CXX) g++ options: -fopenmp -foffload=disable -finline-limit=1000 -fstrict-aliasing -funroll-all-loops -ffast-math -march=native -O3 -pthread -lm -ldl

Phoronix Test Suite v10.8.5