nwchem 1 AMD Ryzen 9 5900X 12-Core testing with a ASUS ROG CROSSHAIR VIII HERO (3202 BIOS) and Sapphire AMD Radeon RX 5600 OEM/5600 XT / 5700/5700 6GB on Ubuntu 20.10 via the Phoronix Test Suite.
HTML result view exported from: https://openbenchmarking.org/result/2101264-HA-NWCHEM13326 .
nwchem 1 Processor Motherboard Chipset Memory Disk Graphics Audio Monitor Network OS Kernel Desktop Display Server Display Driver OpenGL Vulkan Compiler File-System Screen Resolution AMD Ryzen 9 5900X 12-Core 2 AMD Ryzen 9 5900X 12-Core @ 3.70GHz (12 Cores / 24 Threads) ASUS ROG CROSSHAIR VIII HERO (3202 BIOS) AMD Starship/Matisse 16GB 1000GB Samsung SSD 980 PRO 1TB Sapphire AMD Radeon RX 5600 OEM/5600 XT / 5700/5700 6GB (1780/875MHz) AMD Navi 10 HDMI Audio ASUS VP28U Realtek RTL8125 2.5GbE + Intel I211 Ubuntu 20.10 5.8.0-38-generic (x86_64) GNOME Shell 3.38.1 X Server 1.20.9 modesetting 1.20.9 4.6 Mesa 20.2.1 (LLVM 11.0.0) 1.2.131 GCC 10.2.0 ext4 3840x2160 OpenBenchmarking.org Kernel Details - Transparent Huge Pages: madvise Compiler Details - --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++,m2 --enable-libphobos-checking=release --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-multiarch --enable-multilib --enable-nls --enable-objc-gc=auto --enable-offload-targets=nvptx-none=/build/gcc-10-JvwpWM/gcc-10-10.2.0/debian/tmp-nvptx/usr,amdgcn-amdhsa=/build/gcc-10-JvwpWM/gcc-10-10.2.0/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-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: acpi-cpufreq ondemand (Boost: Enabled) - CPU Microcode: 0xa201009 Security Details - 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 IBRS_FW STIBP: always-on RSB filling + srbds: Not affected + tsx_async_abort: Not affected
nwchem 1 nwchem: C240 Buckyball Difference AMD Ryzen 9 5900X 12-Core 2 11010.2 1.00x 10997.5 1.00x OpenBenchmarking.org
NWChem Input: C240 Buckyball OpenBenchmarking.org Seconds, Fewer Is Better NWChem 7.0 Input: C240 Buckyball AMD Ryzen 9 5900X 12-Core 2 2K 4K 6K 8K 10K 11010.2 10997.5 1. (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 -lopen-rte -lopen-pal -lhwloc -ldl -levent -levent_pthreads -lutil -lm -lz -lcomex -m64 -ffast-math -std=legacy -fdefault-integer-8 -finline-functions -O2
Phoronix Test Suite v10.8.4