Match comparison for B3LYP Fock Eigenvalue dn (match type 12226)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 03-xc.b3lyp_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.379245000000000e-01 3.910000000000000e-05 -8.379550175438595e-01 1.813641411014848e-05 -8.379245000000000e-01 3.550000000002163e-05 PASS

Checks for this match

  • GPU builders have different values.
  • Intel® builders have different values.
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Detailed information

Reference: -0.8379245, precision: 0.0000391
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
cmake_foss_2022a_full_serial -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2022a_ppc -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023a_serial_opt -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
cmake_foss_2022a_min_serial -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
cmake_foss_2022a_min_mpi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
cmake_foss_2022a_full_mpi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2022a_mpi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2022a_mpi_min -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2022a_serial -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2022a_serial_min -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023a_serial -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023a_mpi_min -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023a_mpi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023a_serial_min -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023a_mpi_opt -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023a_serial_debug -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023b_serial -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023a_serial_omp -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023a_mpi_debug -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_intel-2022a_serial_omp -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2023a_mpi_omp -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_intel-2023a_serial -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_intel-2023a_impi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_intel-2023a_serial_omp -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_intel-2022a_impi_omp -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2022a_cuda_mpi_omp -8.378890000000000e-01 3.549999999996611e-05 9.079283887459364e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2022a_cuda_serial -8.378890000000000e-01 3.549999999996611e-05 9.079283887459364e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -8.378890000000000e-01 3.549999999996611e-05 9.079283887459364e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.378890000000000e-01 3.549999999996611e-05 9.079283887459364e-01 PASS