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.

Compare your own system(s) to this result file with the Phoronix Test Suite by running the command: phoronix-test-suite benchmark 2101264-HA-NWCHEM13326
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AMD Ryzen 9 5900X 12-Core
January 25
  3 Hours, 4 Minutes
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January 26
  3 Hours, 4 Minutes
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  3 Hours, 4 Minutes


nwchem 1ProcessorMotherboardChipsetMemoryDiskGraphicsAudioMonitorNetworkOSKernelDesktopDisplay ServerDisplay DriverOpenGLVulkanCompilerFile-SystemScreen ResolutionAMD Ryzen 9 5900X 12-Core2AMD Ryzen 9 5900X 12-Core @ 3.70GHz (12 Cores / 24 Threads)ASUS ROG CROSSHAIR VIII HERO (3202 BIOS)AMD Starship/Matisse16GB1000GB Samsung SSD 980 PRO 1TBSapphire AMD Radeon RX 5600 OEM/5600 XT / 5700/5700 6GB (1780/875MHz)AMD Navi 10 HDMI AudioASUS VP28URealtek RTL8125 2.5GbE + Intel I211Ubuntu 20.105.8.0-38-generic (x86_64)GNOME Shell 3.38.1X Server 1.20.9modesetting 1.20.94.6 Mesa 20.2.1 (LLVM 11.0.0)1.2.131GCC 10.2.0ext43840x2160OpenBenchmarking.orgKernel Details- Transparent Huge Pages: madviseCompiler 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: 0xa201009Security 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

NWChem is an open-source high performance computational chemistry package. Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterNWChem 7.0Input: C240 BuckyballAMD Ryzen 9 5900X 12-Core22K4K6K8K10K11010.210997.51. (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