Match comparison for Energy [step 1] (match type 14077)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 05-time_propagation.05-td_md.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.791009280177000e+01 1.900000000000000e-10 -3.791009280177384e+01 7.933510073809309e-14 -3.791009280177386e+01 1.456612608308205e-13 PASS
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Detailed information

Reference: -37.91009280177, precision: 0.00000000019
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -3.791009280177379e+01 -3.787192781601334e-12 -1.993259358737544e-02 PASS
spack_foss-2022a_ppc -3.791009280177379e+01 -3.787192781601334e-12 -1.993259358737544e-02 PASS
cmake_foss_2022a_min_serial -3.791009280177379e+01 -3.787192781601334e-12 -1.993259358737544e-02 PASS
cmake_foss_2022a_min_mpi -3.791009280177390e+01 -3.900879619322950e-12 -2.053094536485763e-02 PASS
cmake_foss_2022a_full_mpi -3.791009280177392e+01 -3.922195901395753e-12 -2.064313632313554e-02 PASS
spack_foss-2022a_mpi_min -3.791009280177394e+01 -3.943512183468556e-12 -2.075532728141346e-02 PASS
spack_foss-2022a_mpi -3.791009280177394e+01 -3.943512183468556e-12 -2.075532728141346e-02 PASS
spack_foss-2022a_serial -3.791009280177379e+01 -3.794298208958935e-12 -1.996999057346808e-02 PASS
spack_foss-2022a_serial_min -3.791009280177379e+01 -3.794298208958935e-12 -1.996999057346808e-02 PASS
spack_foss-2023a_mpi -3.791009280177394e+01 -3.943512183468556e-12 -2.075532728141346e-02 PASS
spack_foss-2023a_mpi_min -3.791009280177394e+01 -3.943512183468556e-12 -2.075532728141346e-02 PASS
spack_foss-2023a_serial_min -3.791009280177379e+01 -3.794298208958935e-12 -1.996999057346808e-02 PASS
spack_foss-2023a_serial -3.791009280177379e+01 -3.794298208958935e-12 -1.996999057346808e-02 PASS
spack_foss-2023a_mpi_opt -3.791009280177392e+01 -3.922195901395753e-12 -2.064313632313554e-02 PASS
spack_foss-2023a_mpi_debug -3.791009280177394e+01 -3.943512183468556e-12 -2.075532728141346e-02 PASS
spack_foss-2023a_serial_opt -3.791009280177379e+01 -3.787192781601334e-12 -1.993259358737544e-02 PASS
spack_foss-2023b_serial -3.791009280177379e+01 -3.794298208958935e-12 -1.996999057346808e-02 PASS
spack_foss-2023a_serial_debug -3.791009280177379e+01 -3.794298208958935e-12 -1.996999057346808e-02 PASS
spack_foss-2023a_serial_omp -3.791009280177391e+01 -3.915090474038152e-12 -2.060573933704291e-02 PASS
spack_intel-2022a_serial_omp -3.791009280177381e+01 -3.815614491031738e-12 -2.008218153174599e-02 PASS
spack_foss-2023a_mpi_omp -3.791009280177391e+01 -3.915090474038152e-12 -2.060573933704291e-02 PASS
spack_intel-2023a_serial -3.791009280177400e+01 -4.000355602329364e-12 -2.105450317015455e-02 PASS
spack_intel-2023a_impi -3.791009280177372e+01 -3.723243935382925e-12 -1.959602071254171e-02 PASS
spack_foss-2022a_cuda_mpi_omp -3.791009280177391e+01 -3.915090474038152e-12 -2.060573933704291e-02 PASS
spack_intel-2023a_serial_omp -3.791009280177381e+01 -3.815614491031738e-12 -2.008218153174599e-02 PASS
spack_intel-2022a_impi_omp -3.791009280177371e+01 -3.709033080667723e-12 -1.952122674035644e-02 PASS
spack_foss-2022a_cuda_serial -3.791009280177379e+01 -3.787192781601334e-12 -1.993259358737544e-02 PASS