Match comparison for Energy [step 20] (match type 14051)

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > Input 19-td_move_ions.02-td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.964454116297200e+01 1.480000000000000e-11 -2.964454116297179e+01 1.937238388066428e-13 -2.964454116297169e+01 3.321787289678468e-13 PASS
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Detailed information

Reference: -29.644541162972, precision: 0.0000000000148
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.964454116297162e+01 3.801403636316536e-13 2.568515970484146e-02 PASS
spack_foss-2023a_serial_min -2.964454116297162e+01 3.801403636316536e-13 2.568515970484146e-02 PASS
spack_foss-2023a_serial -2.964454116297162e+01 3.801403636316536e-13 2.568515970484146e-02 PASS
spack_foss-2022a_serial -2.964454116297162e+01 3.801403636316536e-13 2.568515970484146e-02 PASS
spack_foss-2023a_serial_opt -2.964454116297161e+01 3.907985046680551e-13 2.640530436946318e-02 PASS
spack_foss-2023b_serial -2.964454116297162e+01 3.801403636316536e-13 2.568515970484146e-02 PASS
spack_foss-2022a_ppc -2.964454116297163e+01 3.730349362740526e-13 2.520506326176031e-02 PASS
spack_foss-2022a_mpi_min -2.964454116297201e+01 -1.421085471520200e-14 -9.601928861622975e-04 PASS
spack_foss-2023a_mpi_min -2.964454116297201e+01 -1.421085471520200e-14 -9.601928861622975e-04 PASS
spack_foss-2023a_serial_omp -2.964454116297194e+01 6.039613253960852e-14 4.080819766189765e-03 PASS
spack_foss-2023a_serial_debug -2.964454116297162e+01 3.801403636316536e-13 2.568515970484146e-02 PASS
spack_foss-2023a_mpi_opt -2.964454116297203e+01 -2.486899575160351e-14 -1.680337550784021e-03 PASS
spack_foss-2022a_mpi -2.964454116297201e+01 -1.421085471520200e-14 -9.601928861622975e-04 PASS
spack_foss-2023a_mpi -2.964454116297201e+01 -1.421085471520200e-14 -9.601928861622975e-04 PASS
spack_foss-2022a_cuda_serial -2.964454116297162e+01 3.836930773104541e-13 2.592520792638203e-02 PASS
spack_foss-2023a_mpi_debug -2.964454116297201e+01 -1.421085471520200e-14 -9.601928861622975e-04 PASS
spack_foss-2023a_mpi_omp -2.964454116297199e+01 1.065814103640150e-14 7.201446646217231e-04 PASS
spack_foss-2022a_cuda_mpi_omp -2.964454116297200e+01 3.552713678800501e-15 2.400482215405744e-04 PASS
spack_intel-2023a_serial -2.964454116297136e+01 6.394884621840902e-13 4.320867987730339e-02 PASS
spack_intel-2022a_serial_omp -2.964454116297177e+01 2.273736754432321e-13 1.536308617859676e-02 PASS
spack_intel-2023a_serial_omp -2.964454116297177e+01 2.273736754432321e-13 1.536308617859676e-02 PASS
spack_intel-2022a_impi_omp -2.964454116297182e+01 1.811883976188255e-13 1.224245929856929e-02 PASS
spack_intel-2023a_impi -2.964454116297184e+01 1.563194018672220e-13 1.056212174778527e-02 PASS