Match comparison for B3LYP Fock Total (match type 12229)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 03-xc.b3lyp_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.764007400000000e-01 1.810000000000000e-05 -5.764153533333334e-01 7.531539609464548e-06 -5.764007400000000e-01 1.644000000000645e-05 PASS

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Detailed information

Reference: -0.57640074, precision: 0.0000181
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2022a_serial_min -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2022a_serial -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2022a_ppc -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2022a_mpi_min -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -5.763843000000000e-01 1.644000000000645e-05 9.082872928180359e-01 PASS
cmake_foss_2022a_full_mpi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2022a_mpi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
cmake_foss_2022a_min_serial -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023a_mpi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
cmake_foss_2022a_min_mpi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023a_mpi_debug -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023a_mpi_min -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023a_serial -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023a_mpi_opt -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023a_serial_debug -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023a_serial_min -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023a_serial_opt -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023a_mpi_omp -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023b_serial -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2023a_serial_omp -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_intel-2023a_serial -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_intel-2022a_serial_omp -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_intel-2023a_serial_omp -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_intel-2023a_impi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_intel-2022a_impi_omp -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2022a_cuda_mpi_omp -5.763843000000000e-01 1.644000000000645e-05 9.082872928180359e-01 PASS
spack_foss-2022a_cuda_serial -5.763843000000000e-01 1.644000000000645e-05 9.082872928180359e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS