Match comparison for B3LYP Fock Total (match type 12229)

Commits > Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c > Input 03-xc.b3lyp_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.764007400000000e-01 1.810000000000000e-05 -5.764146507692307e-01 8.761512392751851e-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
foss-2022a_ppc -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
cmake_foss_2022a_min_mpi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-2022a_opt -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
intel-2022b -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
intel-2022a -5.764171800000000e-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_serial_omp -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
spack_foss-2022a_serial_debug -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-2022a_omp -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
eb_fosscuda-2022a -5.763843000000000e-01 1.644000000000645e-05 9.082872928180359e-01 PASS
intel-2022a_omp -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
intel-2022b_impi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
intel-2022a_impi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
eb_fosscuda-2022a_mpi_omp -5.763843000000000e-01 1.644000000000645e-05 9.082872928180359e-01 PASS
cmake_foss_2022a_min_serial -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
foss-2022a_mpi_omp -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
eb_foss-2022b_libxc6 -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
eb_foss-2022a -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
eb_foss-2022a_debug -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
intel-2022a_omp_impi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
eb_foss-2022a_mpi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
eb_foss-2022b_libxc6_mpi -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS
eb_foss-2022a_mpi_debug -5.764171800000000e-01 -1.644000000000645e-05 -9.082872928180359e-01 PASS