Match comparison for Hartree energy (match type 29565)

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Input 13-primitive.02-graphene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.128225359000000e+01 7.150000000000000e-07 -1.128225424133333e+01 4.988876485379112e-09 -1.128225425000000e+01 9.999999939225290e-09 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
    • Intel® 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: [foss2022a-serial, foss-min] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_min_autotools: [foss2023a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_min_autotools: [foss2023b-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_min_autotools: [foss2022a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_autotools: [foss2022a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_opt_autotools: [foss2023a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_cmake_mpi_min: [foss2023a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_cmake_mpi_min: [foss2022a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_autotools: [foss2023b-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
intel_autotools: [intel2023a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_autotools: [foss2023a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_omp_autotools: [foss2023a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
intel_omp_autotools: [intel2023a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
intel_omp_autotools: [intel2022a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_debug_autotools: [foss2023a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.128225426000000e+01 -6.700000003689865e-07 -9.370629375790022e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.128225424000000e+01 -6.500000004905360e-07 -9.090909097769734e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.128225426000000e+01 -6.700000003689865e-07 -9.370629375790022e-01 PASS