cp2k1

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.

Compare your own system(s) to this result file with the Phoronix Test Suite by running the command: phoronix-test-suite benchmark 2308142-NE-CP2K1419140
Jump To Table - Results

Statistics

Remove Outliers Before Calculating Averages

Graph Settings

Prefer Vertical Bar Graphs

Multi-Way Comparison

Condense Multi-Option Tests Into Single Result Graphs

Table

Show Detailed System Result Table

Run Management

Result
Identifier
View Logs
Performance Per
Dollar
Date
Run
  Test
  Duration
patched
August 14 2023
  52 Minutes
Only show results matching title/arguments (delimit multiple options with a comma):
Do not show results matching title/arguments (delimit multiple options with a comma):


cp2k1OpenBenchmarking.orgPhoronix Test Suite4 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 20210110ext41024x768ProcessorMotherboardChipsetMemoryDiskGraphicsNetworkOSKernelVulkanCompilerFile-SystemScreen ResolutionCp2k1 BenchmarksSystem Logs- 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

CP2K Molecular Dynamics

CP2K is an open-source molecular dynamics software package focused on quantum chemistry and solid-state physics. More details on the CP2K benchmark test cases and details can be found @ https://www.cp2k.org/performance Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2023.1Input: H20-64patched81624324035.571. (F9X) gfortran options: -fopenmp -mtune=native -O3 -funroll-loops -pthread -fbacktrace -ffree-form -fimplicit-none -std=f2008 -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -lsirius -lspla -lspfft -lsymspg -lvdwxc -lhdf5 -lhdf5_hl -lz -lgsl -lelpa_openmp -lcosma -lcosta -lscalapack -lxsmmf -lxsmm -ldl -lpthread -lxcf03 -lxc -lint2 -lfftw3_mpi -lfftw3 -lfftw3_omp -lmpi_cxx -lmpi -lopenblas -lvori -lstdc++ -lmpi_usempif08 -lmpi_mpifh -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lutil -lm -lrt

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2023.1Input: H2O-DFT-LSpatched60012001800240030002877.791. (F9X) gfortran options: -fopenmp -mtune=native -O3 -funroll-loops -pthread -fbacktrace -ffree-form -fimplicit-none -std=f2008 -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -lsirius -lspla -lspfft -lsymspg -lvdwxc -lhdf5 -lhdf5_hl -lz -lgsl -lelpa_openmp -lcosma -lcosta -lscalapack -lxsmmf -lxsmm -ldl -lpthread -lxcf03 -lxc -lint2 -lfftw3_mpi -lfftw3 -lfftw3_omp -lmpi_cxx -lmpi -lopenblas -lvori -lstdc++ -lmpi_usempif08 -lmpi_mpifh -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lutil -lm -lrt

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2023.1Input: Fayalite-FISTpatched4080120160200169.051. (F9X) gfortran options: -fopenmp -mtune=native -O3 -funroll-loops -pthread -fbacktrace -ffree-form -fimplicit-none -std=f2008 -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kdbm -lcp2kgrid -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -lsirius -lspla -lspfft -lsymspg -lvdwxc -lhdf5 -lhdf5_hl -lz -lgsl -lelpa_openmp -lcosma -lcosta -lscalapack -lxsmmf -lxsmm -ldl -lpthread -lxcf03 -lxc -lint2 -lfftw3_mpi -lfftw3 -lfftw3_omp -lmpi_cxx -lmpi -lopenblas -lvori -lstdc++ -lmpi_usempif08 -lmpi_mpifh -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lutil -lm -lrt