Match comparison for B3LYP Fock Total (match type 12229)

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Input 03-xc.b3lyp_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.764007400000000e-01 1.810000000000000e-05 -5.690346868750000e-01 4.109807710564255e-02 -4.583137300000000e-01 1.181034500000000e-01 FAIL

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Detailed information

Reference: -0.57640074, precision: 0.0000181
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-serial-min: [foss2022a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-serial-min: [foss2023b-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-serial-min: [foss2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
intel_autotools: [intel2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-serial-full: [foss2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-opt-full: [foss2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-serial-full: [foss2023b-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-ppc: [foss2022a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
intel_omp_autotools: [intel2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-serial-debug: [foss2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
intel_omp_autotools: [intel2022a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-omp-full: [foss2023a-serial] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-mpi-full: [foss2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-mpi-min: [foss2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-mpi-min: [foss2022a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.402102800000000e-01 2.361904600000000e-01 1.304919668508287e+04 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -5.763843000000000e-01 1.644000000000645e-05 9.082872928180359e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS