qe-nwchem

Intel Core i7-5960X testing with a Gigabyte X99-UD4-CF (F24c BIOS) and NVIDIA GeForce 6600 GT 124MB on Debian 11 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 2201018-NE-QENWCHEM184
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BLAS (Basic Linear Algebra Sub-Routine) Tests 2 Tests
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HPC - High Performance Computing 2 Tests
LAPACK (Linear Algebra Pack) Tests 2 Tests
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January 01 2022
  1 Hour, 4 Minutes
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January 01 2022
  14 Minutes
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January 01 2022
  42 Minutes
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January 01 2022
  42 Minutes
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qe-nwchem - Phoronix Test Suite

qe-nwchem

Intel Core i7-5960X testing with a Gigabyte X99-UD4-CF (F24c BIOS) and NVIDIA GeForce 6600 GT 124MB on Debian 11 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2201018-NE-QENWCHEM184&grr&export=txt&sro.

qe-nwchem ProcessorMotherboardChipsetMemoryDiskGraphicsAudioNetworkOSKernelVulkanCompilerFile-SystemABCDEIntel Core i7-5960X @ 3.50GHz (8 Cores / 16 Threads)Gigabyte X99-UD4-CF (F24c BIOS)Intel Xeon E7 v3/Xeon32GB120GB INTEL SSDSC2BW12NVIDIA GeForce 6600 GT 124MBRealtek ALC1150Intel I218-VDebian 115.10.0-10-amd64 (x86_64)1.0.2GCC 10.2.1 20210110ext4OpenBenchmarking.orgKernel Details- Transparent Huge Pages: alwaysCompiler Details- --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 Processor Details- Scaling Governor: intel_cpufreq schedutil - CPU Microcode: 0x3dSecurity Details- itlb_multihit: KVM: Mitigation of VMX unsupported + l1tf: Mitigation of PTE Inversion + mds: Vulnerable: Clear buffers attempted no microcode; SMT vulnerable + meltdown: Mitigation of PTI + 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 generic retpoline IBPB: conditional IBRS_FW STIBP: conditional RSB filling + srbds: Not affected + tsx_async_abort: Not affected

qe-nwchem qe: AUSURF112DifferenceStandard ErrorStandard DeviationABCDE826.571.01x832.791.01x828.641.01x7.061.48%837.231.00x0.160.03%OpenBenchmarking.org

Quantum ESPRESSO

Input: AUSURF112

OpenBenchmarking.orgSeconds, Fewer Is BetterQuantum ESPRESSO 7.0Input: AUSURF112ABDE2004006008001000SE +/- 7.06, N = 3SE +/- 0.16, N = 3826.57832.79828.64837.231. (F9X) gfortran options: -pthread -fopenmp -ldevXlib -lopenblas -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys -lfftw3_omp -lfftw3 -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -ldl -levent_core -levent_pthreads -lutil -lm -lrt -lz

Phoronix Test Suite v10.8.4