chem chem

2 x Intel Xeon Gold 6338 testing with a Supermicro X12DPi-N6 v1.01 (1.4 BIOS) and astdrmfb on AlmaLinux 9.1 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 2303246-NE-CHEMCHEM650
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2 x Intel Xeon Gold 6338
March 24 2023
  51 Minutes


chem chemOpenBenchmarking.orgPhoronix Test Suite2 x Intel Xeon Gold 6338 @ 3.20GHz (64 Cores / 128 Threads)Supermicro X12DPi-N6 v1.01 (1.4 BIOS)16 x 32 GB DDR4-3200MT/s Samsung M393A4K40EB3-CWE2 x 1920GB SAMSUNG MZQL21T9HCJR-00A07astdrmfbDELL E207WFPAlmaLinux 9.15.14.0-162.12.1.el9_1.x86_64 (x86_64)GCC 11.3.1 20220421ext41280x1024ProcessorMotherboardMemoryDiskGraphicsMonitorOSKernelCompilerFile-SystemScreen ResolutionChem Chem BenchmarksSystem Logs- Transparent Huge Pages: always- --build=x86_64-redhat-linux --disable-libunwind-exceptions --enable-__cxa_atexit --enable-bootstrap --enable-cet --enable-checking=release --enable-gnu-indirect-function --enable-gnu-unique-object --enable-host-bind-now --enable-host-pie --enable-initfini-array --enable-languages=c,c++,fortran,lto --enable-link-serialization=1 --enable-multilib --enable-offload-targets=nvptx-none --enable-plugin --enable-shared --enable-threads=posix --mandir=/usr/share/man --with-arch_32=x86-64 --with-arch_64=x86-64-v2 --with-build-config=bootstrap-lto --with-gcc-major-version-only --with-linker-hash-style=gnu --with-tune=generic --without-cuda-driver --without-isl - Scaling Governor: intel_cpufreq performance - CPU Microcode: 0xd000375- itlb_multihit: Not affected + l1tf: Not affected + mds: Not affected + meltdown: Not affected + mmio_stale_data: Mitigation of Clear buffers; SMT vulnerable + 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

NWChem

NWChem is an open-source high performance computational chemistry package. Per NWChem's documentation, "NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters." Learn more via the OpenBenchmarking.org test page.

OpenBenchmarking.orgSeconds, Fewer Is BetterNWChem 7.0.2Input: C240 Buckyball2 x Intel Xeon Gold 6338700140021002800350030381. (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