nwchem 3970x

AMD Ryzen Threadripper 3970X 32-Core testing with a ASUS ROG ZENITH II EXTREME (0702 BIOS) and Gigabyte AMD Radeon RX 5500/5500M / Pro 5500M 8GB on Ubuntu 20.04 via the Phoronix Test Suite.

HTML result view exported from: https://openbenchmarking.org/result/2004217-NI-NWCHEM39727.

nwchem 3970xProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLCompilerFile-SystemScreen ResolutionAMD Ryzen Threadripper 3970X 32-CoreAMD Ryzen Threadripper 3970X 32-Core @ 3.70GHz (32 Cores / 64 Threads)ASUS ROG ZENITH II EXTREME (0702 BIOS)AMD Starship/Matisse64GB1000GB Force MP600Gigabyte AMD Radeon RX 5500/5500M / Pro 5500M 8GB (1900/875MHz)AMD Navi 10 HDMI AudioASUS MG28UAquantia AQC107 NBase-T/IEEE + Intel I211 + Intel Wi-Fi 6 AX200Ubuntu 20.045.4.0-21-generic (x86_64)GNOME Shell 3.36.1X Server 1.20.7modesetting 1.20.74.6 Mesa 20.0.4 (LLVM 9.0.1)GCC 9.3.0ext43840x2160OpenBenchmarking.org- --build=x86_64-linux-gnu --disable-vtable-verify --disable-werror --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++,gm2 --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none,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-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 ondemand - CPU Microcode: 0x8301025- 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 + tsx_async_abort: Not affected

nwchem 3970xnwchem: C240 BuckyballAMD Ryzen Threadripper 3970X 32-Core8904.9OpenBenchmarking.org

NWChem

Input: C240 Buckyball

OpenBenchmarking.orgSeconds, Fewer Is BetterNWChem 7.0Input: C240 BuckyballAMD Ryzen Threadripper 3970X 32-Core2K4K6K8K10K8904.91. (F9X) gfortran options: -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lga -larmci -lpeigs -l64to32 -lopenblas -lpthread -lrt -llapack -lnwcblas -lmpi_usempif08 -lmpi_mpifh -lmpi -lcomex -lm -m64 -ffast-math -std=legacy -fdefault-integer-8 -finline-functions -O2

Phoronix Test Suite v10.8.4