Match comparison for Energy [step 1] (match type 14080)

Commits > Commit 0043f87fd1086e2efddabd576c31b5184d964264 > Input 05-time_propagation.06-td_fast_md.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.791009280177380e+01 1.900000000000000e-12 -3.791009280177385e+01 7.933510073809309e-14 -3.791009280177386e+01 1.350031197944190e-13 PASS
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Detailed information

Reference: -37.9100928017738, precision: 0.0000000000019
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
cmake_foss_2022a_full_serial -3.791009280177379e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
cmake_foss_2022a_min_serial -3.791009280177379e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
cmake_foss_2022a_full_mpi -3.791009280177394e+01 -1.421085471520200e-13 -7.479397218527370e-02 PASS
cmake_foss_2022a_min_mpi -3.791009280177387e+01 -7.105427357601002e-14 -3.739698609263685e-02 PASS
spack_foss-2022a_cuda_mpi_omp -3.791009280177391e+01 -1.136868377216160e-13 -5.983517774821896e-02 PASS
spack_foss-2022a_mpi -3.791009280177395e+01 -1.492139745096210e-13 -7.853367079453739e-02 PASS
spack_foss-2022a_serial_min -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
spack_foss-2022a_serial -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
spack_foss-2022a_mpi_min -3.791009280177395e+01 -1.492139745096210e-13 -7.853367079453739e-02 PASS
spack_foss-2023a_mpi_min -3.791009280177395e+01 -1.492139745096210e-13 -7.853367079453739e-02 PASS
spack_foss-2023a_mpi -3.791009280177395e+01 -1.492139745096210e-13 -7.853367079453739e-02 PASS
spack_foss-2022a_cuda_serial -3.791009280177380e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
spack_foss-2023a_mpi_opt -3.791009280177394e+01 -1.421085471520200e-13 -7.479397218527370e-02 PASS
spack_foss-2023a_serial_min -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
spack_foss-2023a_serial_opt -3.791009280177379e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
spack_foss-2023a_mpi_debug -3.791009280177395e+01 -1.492139745096210e-13 -7.853367079453739e-02 PASS
spack_intel-2023a_impi -3.791009280177374e+01 6.394884621840902e-14 3.365728748337317e-02 PASS
spack_foss-2023a_serial_debug -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
spack_foss-2023a_serial_omp -3.791009280177389e+01 -8.526512829121202e-14 -4.487638331116423e-02 PASS
spack_foss-2023a_mpi_omp -3.791009280177393e+01 -1.278976924368180e-13 -6.731457496674634e-02 PASS
spack_foss-2023b_serial -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
spack_intel-2023a_serial -3.791009280177400e+01 -1.989519660128281e-13 -1.047115610593832e-01 PASS
spack_intel-2022a_serial_omp -3.791009280177383e+01 -2.842170943040401e-14 -1.495879443705474e-02 PASS
spack_intel-2023a_serial_omp -3.791009280177383e+01 -2.842170943040401e-14 -1.495879443705474e-02 PASS
spack_intel-2022a_impi_omp -3.791009280177373e+01 7.105427357601002e-14 3.739698609263685e-02 PASS