Match comparison for Energy [step 5] (match type 14081)
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.790974154516920e+01 | 2.000000000000000e-13 | -3.790974154516928e+01 | 4.371533085123779e-14 | -3.790974154516927e+01 | 7.105427357601002e-14 | PASS |
Checks for this match
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Detailed information
Reference: -37.9097415451692, precision: 0.0000000000002| Run | Value | Difference | Relative difference | Status |
| spack_intel-2023a_impi | -3.790974154516923e+01 | -2.842170943040401e-14 | -1.421085471520200e-01 | PASS |
| spack_foss-2022a_ppc | -3.790974154516920e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -3.790974154516928e+01 | -8.526512829121202e-14 | -4.263256414560601e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.790974154516934e+01 | -1.421085471520200e-13 | -7.105427357601002e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.790974154516928e+01 | -8.526512829121202e-14 | -4.263256414560601e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.790974154516932e+01 | -1.207922650792170e-13 | -6.039613253960852e-01 | PASS |
| spack_foss-2022a_mpi | -3.790974154516933e+01 | -1.350031197944190e-13 | -6.750155989720952e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.790974154516933e+01 | -1.350031197944190e-13 | -6.750155989720952e-01 | PASS |
| spack_foss-2022a_serial_min | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| spack_foss-2022a_serial | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.790974154516931e+01 | -1.136868377216160e-13 | -5.684341886080801e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.790974154516933e+01 | -1.350031197944190e-13 | -6.750155989720952e-01 | PASS |
| spack_foss-2023a_serial | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| spack_foss-2023a_serial_min | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.790974154516920e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -3.790974154516933e+01 | -1.350031197944190e-13 | -6.750155989720952e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.790974154516934e+01 | -1.421085471520200e-13 | -7.105427357601002e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.790974154516928e+01 | -8.526512829121202e-14 | -4.263256414560601e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.790974154516925e+01 | -5.684341886080801e-14 | -2.842170943040401e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.790974154516933e+01 | -1.350031197944190e-13 | -6.750155989720952e-01 | PASS |
| spack_foss-2023b_serial | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.790974154516930e+01 | -9.947598300641403e-14 | -4.973799150320701e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.790974154516920e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | -3.790974154516928e+01 | -8.526512829121202e-14 | -4.263256414560601e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.790974154516923e+01 | -2.842170943040401e-14 | -1.421085471520200e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.790974154516930e+01 | -9.947598300641403e-14 | -4.973799150320701e-01 | PASS |