saa

Intel Core i9-13900K testing with a ASUS PRIME Z790-P WIFI (0812 BIOS) and AMD Radeon RX 6800 XT 16GB on Ubuntu 23.04 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 2306189-PTS-SAA2866117
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BLAS (Basic Linear Algebra Sub-Routine) Tests 2 Tests
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saaOpenBenchmarking.orgPhoronix Test SuiteIntel Core i9-13900K @ 5.50GHz (24 Cores / 32 Threads)ASUS PRIME Z790-P WIFI (0812 BIOS)Intel Device 7a2732GB1000GB Western Digital WDS100T1X0E-00AFY0AMD Radeon RX 6800 XT 16GB (2575/1000MHz)Realtek ALC897ASUS VP28UUbuntu 23.046.2.0-20-generic (x86_64)GNOME Shell 44.0X Server + Wayland4.6 Mesa 23.0.2 (LLVM 15.0.7 DRM 3.49)GCC 12.2.0ext43840x2160ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorOSKernelDesktopDisplay ServerOpenGLCompilerFile-SystemScreen ResolutionSaa BenchmarksSystem Logs- Transparent Huge Pages: madvise- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --enable-cet --enable-checking=release --enable-clocale=gnu --enable-default-pie --enable-gnu-unique-object --enable-languages=c,ada,c++,go,d,fortran,objc,obj-c++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-defaulted --enable-offload-targets=nvptx-none=/build/gcc-12-Pa930Z/gcc-12-12.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-12-Pa930Z/gcc-12-12.2.0/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-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: 0x113 - Thermald 2.5.2 - Python 3.11.2- itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Not affected + retbleed: 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 PBRSB-eIBRS: SW sequence + srbds: Not affected + tsx_async_abort: Not affected

abcdResult OverviewPhoronix Test Suite100%103%106%110%113%HeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascalePalabosHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascaleHeFFTe - Highly Efficient FFT for ExascalePalabosc2c - FFTW - float-long - 128c2c - Stock - float - 128r2c - FFTW - double - 128c2c - Stock - float-long - 128r2c - FFTW - double-long - 128c2c - FFTW - float - 128r2c - Stock - double-long - 256r2c - Stock - double - 128r2c - Stock - float - 256r2c - FFTW - float - 128r2c - FFTW - float-long - 128r2c - Stock - double-long - 128r2c - Stock - float-long - 128r2c - Stock - float-long - 256c2c - Stock - double-long - 128c2c - FFTW - double - 128c2c - FFTW - double-long - 128r2c - FFTW - double - 256c2c - Stock - double - 128r2c - Stock - double - 256r2c - Stock - float - 128c2c - Stock - double - 256100c2c - FFTW - double - 256r2c - FFTW - double-long - 256c2c - FFTW - float-long - 256c2c - FFTW - float - 256r2c - FFTW - float - 256c2c - Stock - double-long - 256c2c - Stock - float-long - 256r2c - FFTW - float-long - 256c2c - FFTW - double-long - 256c2c - Stock - float - 256400

saaheffte: c2c - FFTW - float - 128heffte: c2c - FFTW - float - 256heffte: r2c - FFTW - float - 128heffte: r2c - FFTW - float - 256heffte: c2c - FFTW - double - 128heffte: c2c - FFTW - double - 256heffte: c2c - Stock - float - 128heffte: c2c - Stock - float - 256heffte: r2c - FFTW - double - 128heffte: r2c - FFTW - double - 256heffte: r2c - Stock - float - 128heffte: r2c - Stock - float - 256heffte: c2c - Stock - double - 128heffte: c2c - Stock - double - 256heffte: r2c - Stock - double - 128heffte: r2c - Stock - double - 256heffte: c2c - FFTW - float-long - 128heffte: c2c - FFTW - float-long - 256heffte: r2c - FFTW - float-long - 128heffte: r2c - FFTW - float-long - 256heffte: c2c - FFTW - double-long - 128heffte: c2c - FFTW - double-long - 256heffte: c2c - Stock - float-long - 128heffte: c2c - Stock - float-long - 256heffte: r2c - FFTW - double-long - 128heffte: r2c - FFTW - double-long - 256heffte: r2c - Stock - float-long - 128heffte: r2c - Stock - float-long - 256heffte: c2c - Stock - double-long - 128heffte: c2c - Stock - double-long - 256heffte: r2c - Stock - double-long - 128heffte: r2c - Stock - double-long - 256palabos: 100palabos: 400palabos: 500mocassin: Gas HII40mocassin: Dust 2D tau100.0gpaw: Carbon Nanotubecp2k: H20-64cp2k: Fayalite-FISTabcd106.80127.7529201.33753.709919.309914.091066.213027.683467.740625.7672120.39357.785717.541814.053754.621127.5351104.93827.7424201.17953.747419.161514.077165.729827.669767.344625.7408120.79558.438317.623114.070355.292327.591189.1226128.832134.07912.57689.617191.82653.18106.1100.04827.6303198.47853.488519.050914.086564.057827.630566.326225.4483120.35857.322317.489414.006953.641927.6884101.34127.7139200.94553.766618.9214.048464.308127.594365.751625.6233119.66858.342617.352414.012655.168127.347488.6617128.685134.05415.04490.144190.54654.039106.298100.9327.7206202.00453.555819.247914.102560.402827.701262.27525.7294120.06957.575617.512914.090452.552627.48693.138227.6696195.81253.882718.975714.02961.138927.680963.048125.7527118.53759.364817.362814.017154.169226.520688.6304128.819134.24214.99889.406190.10354.23497.154100.20627.7304196.35853.515219.045614.026564.566327.686965.114525.753120.9259.155617.365914.033253.40727.5623100.17427.6094196.52953.952219.09214.031464.131327.707964.865725.6603119.89658.875317.452814.055854.249227.13588.9715128.866OpenBenchmarking.org

HeFFTe - Highly Efficient FFT for Exascale

HeFFTe is the Highly Efficient FFT for Exascale software developed as part of the Exascale Computing Project. This test profile uses HeFFTe's built-in speed benchmarks under a variety of configuration options and currently catering to CPU/processor testing. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: FFTW - Precision: float - X Y Z: 128dcba20406080100SE +/- 1.10, N = 3100.21100.93100.05106.801. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: FFTW - Precision: float - X Y Z: 256dcba714212835SE +/- 0.03, N = 327.7327.7227.6327.751. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: FFTW - Precision: float - X Y Z: 128dcba4080120160200SE +/- 0.29, N = 3196.36202.00198.48201.341. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: FFTW - Precision: float - X Y Z: 256dcba1224364860SE +/- 0.10, N = 353.5253.5653.4953.711. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: FFTW - Precision: double - X Y Z: 128dcba510152025SE +/- 0.08, N = 319.0519.2519.0519.311. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: FFTW - Precision: double - X Y Z: 256dcba48121620SE +/- 0.01, N = 314.0314.1014.0914.091. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: Stock - Precision: float - X Y Z: 128dcba1530456075SE +/- 0.18, N = 364.5760.4064.0666.211. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: Stock - Precision: float - X Y Z: 256dcba714212835SE +/- 0.16, N = 327.6927.7027.6327.681. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: FFTW - Precision: double - X Y Z: 128dcba1530456075SE +/- 0.30, N = 365.1162.2866.3367.741. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: FFTW - Precision: double - X Y Z: 256dcba612182430SE +/- 0.01, N = 325.7525.7325.4525.771. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: Stock - Precision: float - X Y Z: 128dcba306090120150SE +/- 1.29, N = 4120.92120.07120.36120.391. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: Stock - Precision: float - X Y Z: 256dcba1326395265SE +/- 0.66, N = 359.1657.5857.3257.791. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: Stock - Precision: double - X Y Z: 128dcba48121620SE +/- 0.16, N = 317.3717.5117.4917.541. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: Stock - Precision: double - X Y Z: 256dcba48121620SE +/- 0.01, N = 314.0314.0914.0114.051. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: Stock - Precision: double - X Y Z: 128dcba1224364860SE +/- 0.37, N = 353.4152.5553.6454.621. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: Stock - Precision: double - X Y Z: 256dcba714212835SE +/- 0.05, N = 327.5627.4927.6927.541. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: FFTW - Precision: float-long - X Y Z: 128dcba20406080100SE +/- 0.71, N = 3100.1793.14101.34104.941. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: FFTW - Precision: float-long - X Y Z: 256dcba714212835SE +/- 0.04, N = 327.6127.6727.7127.741. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: FFTW - Precision: float-long - X Y Z: 128dcba4080120160200SE +/- 1.20, N = 3196.53195.81200.95201.181. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: FFTW - Precision: float-long - X Y Z: 256dcba1224364860SE +/- 0.17, N = 353.9553.8853.7753.751. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: FFTW - Precision: double-long - X Y Z: 128dcba510152025SE +/- 0.09, N = 319.0918.9818.9219.161. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: FFTW - Precision: double-long - X Y Z: 256dcba48121620SE +/- 0.01, N = 314.0314.0314.0514.081. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: Stock - Precision: float-long - X Y Z: 128dcba1530456075SE +/- 0.37, N = 364.1361.1464.3165.731. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: Stock - Precision: float-long - X Y Z: 256dcba714212835SE +/- 0.16, N = 327.7127.6827.5927.671. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: FFTW - Precision: double-long - X Y Z: 128dcba1530456075SE +/- 0.13, N = 364.8763.0565.7567.341. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: FFTW - Precision: double-long - X Y Z: 256dcba612182430SE +/- 0.05, N = 325.6625.7525.6225.741. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: Stock - Precision: float-long - X Y Z: 128dcba306090120150SE +/- 0.32, N = 3119.90118.54119.67120.801. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: Stock - Precision: float-long - X Y Z: 256dcba1326395265SE +/- 0.39, N = 358.8859.3658.3458.441. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: Stock - Precision: double-long - X Y Z: 128dcba48121620SE +/- 0.08, N = 317.4517.3617.3517.621. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: c2c - Backend: Stock - Precision: double-long - X Y Z: 256dcba48121620SE +/- 0.02, N = 314.0614.0214.0114.071. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: Stock - Precision: double-long - X Y Z: 128dcba1224364860SE +/- 0.20, N = 354.2554.1755.1755.291. (CXX) g++ options: -O3

OpenBenchmarking.orgGFLOP/s, More Is BetterHeFFTe - Highly Efficient FFT for Exascale 2.3Test: r2c - Backend: Stock - Precision: double-long - X Y Z: 256dcba612182430SE +/- 0.03, N = 327.1426.5227.3527.591. (CXX) g++ options: -O3

Palabos

The Palabos library is a framework for general purpose Computational Fluid Dynamics (CFD). Palabos uses a kernel based on the Lattice Boltzmann method. This test profile uses the Palabos MPI-based Cavity3D benchmark. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgMega Site Updates Per Second, More Is BetterPalabos 2.3Grid Size: 100dcba20406080100SE +/- 0.05, N = 388.9788.6388.6689.121. (CXX) g++ options: -std=c++17 -pedantic -O3 -rdynamic -lcrypto -lcurl -lsz -lz -ldl -lm

OpenBenchmarking.orgMega Site Updates Per Second, More Is BetterPalabos 2.3Grid Size: 400dcba306090120150SE +/- 0.01, N = 3128.87128.82128.69128.831. (CXX) g++ options: -std=c++17 -pedantic -O3 -rdynamic -lcrypto -lcurl -lsz -lz -ldl -lm

OpenBenchmarking.orgMega Site Updates Per Second, More Is BetterPalabos 2.3Grid Size: 500cba306090120150SE +/- 0.06, N = 3134.24134.05134.081. (CXX) g++ options: -std=c++17 -pedantic -O3 -rdynamic -lcrypto -lcurl -lsz -lz -ldl -lm

Grid Size: 1000

a: The test quit with a non-zero exit status.

b: The test quit with a non-zero exit status.

c: The test quit with a non-zero exit status.

Monte Carlo Simulations of Ionised Nebulae

Mocassin is the Monte Carlo Simulations of Ionised Nebulae. MOCASSIN is a fully 3D or 2D photoionisation and dust radiative transfer code which employs a Monte Carlo approach to the transfer of radiation through media of arbitrary geometry and density distribution. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterMonte Carlo Simulations of Ionised Nebulae 2.02.73.3Input: Gas HII40cba48121620SE +/- 0.54, N = 1215.0015.0412.581. (F9X) gfortran options: -cpp -Jsource/ -ffree-line-length-0 -lm -std=legacy -O2 -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lz

OpenBenchmarking.orgSeconds, Fewer Is BetterMonte Carlo Simulations of Ionised Nebulae 2.02.73.3Input: Dust 2D tau100.0cba20406080100SE +/- 0.55, N = 389.4190.1489.621. (F9X) gfortran options: -cpp -Jsource/ -ffree-line-length-0 -lm -std=legacy -O2 -lmpi_usempif08 -lmpi_mpifh -lmpi -lopen-rte -lopen-pal -lhwloc -levent_core -levent_pthreads -lz

GPAW

GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterGPAW 23.6Input: Carbon Nanotubecba4080120160200SE +/- 0.60, N = 3190.10190.55191.831. (CC) gcc options: -shared -fwrapv -O2 -lxc -lblas -lmpi

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: H20-64cba122436486054.2354.0453.181. (F9X) gfortran options: -fopenmp -mtune=native -O3 -funroll-loops -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 -lm

Input: H2O-DFT-LS

a: The test quit with a non-zero exit status. E: mpirun noticed that process rank 10 with PID 0 on node phoronix-System-Product-Name exited on signal 9 (Killed).

b: The test quit with a non-zero exit status. E: mpirun noticed that process rank 19 with PID 0 on node phoronix-System-Product-Name exited on signal 9 (Killed).

c: The test quit with a non-zero exit status. E: mpirun noticed that process rank 6 with PID 0 on node phoronix-System-Product-Name exited on signal 9 (Killed).

OpenBenchmarking.orgSeconds, Fewer Is BetterCP2K Molecular Dynamics 2023.1Input: Fayalite-FISTcba2040608010097.15106.30106.101. (F9X) gfortran options: -fopenmp -mtune=native -O3 -funroll-loops -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 -lm