Match comparison for PBE0 Fock Eigenvalue up (match type 12503)

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > Input 03-xc.pbe0_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.024722000000000e+00 3.410000000000000e-05 -1.024747608695652e+00 1.746982275223171e-05 -1.024722000000000e+00 3.100000000000325e-05 PASS

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Detailed information

Reference: -1.0247220000000001, precision: 0.0000341
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2023a_serial_min -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2023a_serial -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2022a_serial -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2023a_serial_opt -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2023b_serial -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2022a_ppc -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2022a_mpi_min -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2023a_mpi_min -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2023a_serial_omp -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2023a_serial_debug -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2023a_mpi_opt -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2022a_mpi -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2023a_mpi -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2022a_cuda_serial -1.024691000000000e+00 3.100000000011427e-05 9.090909090942600e-01 PASS
spack_foss-2023a_mpi_debug -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2023a_mpi_omp -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.024691000000000e+00 3.100000000011427e-05 9.090909090942600e-01 PASS
spack_intel-2023a_serial -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_intel-2022a_serial_omp -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_intel-2023a_serial_omp -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_intel-2022a_impi_omp -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
spack_intel-2023a_impi -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS