Match comparison for Eigenvalue 3 (match type 12862)

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.847150000000000e-01 2.420000000000000e-05 -4.847154230769231e-01 4.940474068585172e-07 -4.847155000000000e-01 4.999999999866223e-07 PASS

Checks for this match

  • MPI builders have different values.
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Detailed information

Reference: -0.484715, precision: 0.0000242
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS
cmake_foss_2022a_full_mpi -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS
spack_foss-2022a_serial_min -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS
spack_foss-2022a_mpi -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS
spack_foss-2023a_mpi -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS
spack_foss-2023a_mpi_min -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS
spack_foss-2023a_mpi_debug -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS
spack_foss-2023a_serial -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_min -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS
spack_foss-2023a_serial_debug -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023b_serial -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS
spack_intel-2023a_serial -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial_omp -4.847150000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS
spack_intel-2022a_impi_omp -4.847160000000000e-01 -9.999999999732445e-07 -4.132231404848118e-02 PASS