Match comparison for MVORB HSE06 Fock Eigenvalue dn (libxc5) (match type 23353)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Input 03-xc.mvorb_hse06_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.422330000000000e-01 2.710000000000000e-05 -5.422338596491229e-01 5.108849044972446e-07 -5.422330000000000e-01 9.999999999732445e-07 PASS

Checks for this match

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

Reference: -0.542233, precision: 0.0000271
Run Value Difference Relative difference Status
GCI_foss_min_autotools: [foss2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
cmake_foss_2022a_full_serial -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_autotools: [foss2022a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_autotools: [foss2023b-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023a_serial_min -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2022a_serial_min -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2022a_ppc -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2022a_serial -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023a_serial -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
cmake_foss_2022a_min_mpi -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2022a_mpi_min -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023a_mpi_min -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
cmake_foss_2022a_full_mpi -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
cmake_foss_2022a_min_serial -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023a_mpi_opt -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023a_serial_debug -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2022a_mpi -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023a_mpi -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023a_mpi_debug -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023a_mpi_omp -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2022a_cuda_mpi_omp -5.422320000000000e-01 9.999999999177334e-07 3.690036900065437e-02 PASS
GCI_intel_autotools: [intel2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023a_serial_opt -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023a_serial_omp -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2023b_serial -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_intel-2023a_serial -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_intel-2022a_serial_omp -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_intel-2023a_serial_omp -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -5.422320000000000e-01 9.999999999177334e-07 3.690036900065437e-02 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_intel-2023a_impi -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_intel-2022a_impi_omp -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
spack_foss-2022a_cuda_serial -5.422320000000000e-01 9.999999999177334e-07 3.690036900065437e-02 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -5.422320000000000e-01 9.999999999177334e-07 3.690036900065437e-02 PASS