Match comparison for Hartree energy (match type 29565)

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Input 13-primitive.02-graphene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.128225359000000e+01 7.150000000000000e-07 -1.128225426941176e+01 2.352940953187499e-09 -1.128225426500000e+01 4.999999525523435e-09 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
    • Intel® builders have different values.
    Zen 4 builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -11.28225359, precision: 0.000000715
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss-serial-min: [foss2023a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss-serial-min: [foss2022a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
intel_autotools: [intel2023a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss-serial-min: [foss2023b-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss-opt-full: [foss2023a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_autotools: [foss2022a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_autotools: [foss2023a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_autotools: [foss2023b-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
intel_omp_autotools: [intel2022a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss-serial-debug: [foss2023a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss-omp-full: [foss2023a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
intel_omp_autotools: [intel2023a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.128225426000000e+01 -6.700000003689865e-07 -9.370629375790022e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.128225426000000e+01 -6.700000003689865e-07 -9.370629375790022e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.128225427000000e+01 -6.799999994200334e-07 -9.510489502378089e-01 PASS