Match comparison for B3LYP Fock Eigenvalue up (match type 12225)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 03-xc.b3lyp_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.019171000000000e+00 3.630000000000000e-05 -1.019199111111111e+00 1.728483242897817e-05 -1.019171000000000e+00 3.299999999994974e-05 PASS

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Detailed information

Reference: -1.019171, precision: 0.0000363
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
cmake_foss_2022a_full_serial -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2022a_serial -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2022a_ppc -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2023a_mpi_min -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
cmake_foss_2022a_min_serial -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2022a_mpi_min -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2023a_mpi -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
cmake_foss_2022a_full_mpi -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2022a_mpi -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
cmake_foss_2022a_min_mpi -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.019138000000000e+00 3.299999999994974e-05 9.090909090895244e-01 PASS
spack_foss-2023a_mpi_debug -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2023a_serial -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2023a_mpi_opt -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2022a_cuda_serial -1.019138000000000e+00 3.299999999994974e-05 9.090909090895244e-01 PASS
spack_foss-2023a_serial_debug -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2023a_serial_min -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2023a_serial_opt -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2023a_mpi_omp -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2023b_serial -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_foss-2023a_serial_omp -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_intel-2023a_serial -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_intel-2022a_serial_omp -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_intel-2023a_serial_omp -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_intel-2023a_impi -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
spack_intel-2022a_impi_omp -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS