Match comparison for Energy [step 5] (match type 14081)
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
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 | 4.837233515245784e-14 | -3.790974154516926e+01 | 9.237055564881302e-14 | PASS |
Checks for this match
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Detailed information
Reference: -37.9097415451692, precision: 0.0000000000002| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.790974154516928e+01 | -8.526512829121202e-14 | -4.263256414560601e-01 | PASS |
| foss-2022a_ppc | -3.790974154516918e+01 | 1.421085471520200e-14 | 7.105427357601002e-02 | 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 |
| foss-2022a_opt | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.790974154516932e+01 | -1.207922650792170e-13 | -6.039613253960852e-01 | PASS |
| intel-2022b | -3.790974154516928e+01 | -8.526512829121202e-14 | -4.263256414560601e-01 | PASS |
| intel-2022a | -3.790974154516928e+01 | -8.526512829121202e-14 | -4.263256414560601e-01 | PASS |
| spack_foss-2022a_serial_omp | -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 |
| spack_foss-2022a_serial_debug | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| foss-2022a_omp | -3.790974154516933e+01 | -1.278976924368180e-13 | -6.394884621840902e-01 | PASS |
| eb_fosscuda-2022a | -3.790974154516928e+01 | -8.526512829121202e-14 | -4.263256414560601e-01 | PASS |
| intel-2022a_omp | -3.790974154516923e+01 | -2.842170943040401e-14 | -1.421085471520200e-01 | PASS |
| intel-2022b_impi | -3.790974154516920e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_impi | -3.790974154516920e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -3.790974154516928e+01 | -8.526512829121202e-14 | -4.263256414560601e-01 | PASS |
| foss-2022a_mpi_omp | -3.790974154516930e+01 | -9.947598300641403e-14 | -4.973799150320701e-01 | PASS |
| eb_foss-2022a | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| eb_foss-2022a_debug | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| eb_foss-2022a_mpi | -3.790974154516934e+01 | -1.421085471520200e-13 | -7.105427357601002e-01 | PASS |
| intel-2022a_omp_impi | -3.790974154516917e+01 | 2.842170943040401e-14 | 1.421085471520200e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.790974154516935e+01 | -1.563194018672220e-13 | -7.815970093361102e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.790974154516934e+01 | -1.421085471520200e-13 | -7.105427357601002e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.790974154516931e+01 | -1.136868377216160e-13 | -5.684341886080801e-01 | PASS |