Match comparison for Energy [step 5] (match type 14081)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
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 | -3.790974154516929e+01 | 4.326386955180402e-14 | -3.790974154516928e+01 | 9.237055564881302e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -37.9097415451692, precision: 0.0000000000002| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.790974154516930e+01 | -9.947598300641403e-14 | -4.973799150320701e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.790974154516925e+01 | -5.684341886080801e-14 | -2.842170943040401e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.790974154516930e+01 | -9.947598300641403e-14 | -4.973799150320701e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.790974154516925e+01 | -5.684341886080801e-14 | -2.842170943040401e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.790974154516925e+01 | -5.684341886080801e-14 | -2.842170943040401e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.790974154516925e+01 | -5.684341886080801e-14 | -2.842170943040401e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.790974154516930e+01 | -9.947598300641403e-14 | -4.973799150320701e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -3.790974154516925e+01 | -5.684341886080801e-14 | -2.842170943040401e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -3.790974154516925e+01 | -5.684341886080801e-14 | -2.842170943040401e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.790974154516930e+01 | -9.947598300641403e-14 | -4.973799150320701e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.790974154516935e+01 | -1.492139745096210e-13 | -7.460698725481052e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.790974154516937e+01 | -1.705302565824240e-13 | -8.526512829121202e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.790974154516937e+01 | -1.705302565824240e-13 | -8.526512829121202e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.790974154516931e+01 | -1.136868377216160e-13 | -5.684341886080801e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.790974154516931e+01 | -1.136868377216160e-13 | -5.684341886080801e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.790974154516931e+01 | -1.136868377216160e-13 | -5.684341886080801e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.790974154516931e+01 | -1.136868377216160e-13 | -5.684341886080801e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.790974154516925e+01 | -5.684341886080801e-14 | -2.842170943040401e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.790974154516931e+01 | -1.136868377216160e-13 | -5.684341886080801e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.790974154516921e+01 | -1.421085471520200e-14 | -7.105427357601002e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.790974154516918e+01 | 1.421085471520200e-14 | 7.105427357601002e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.790974154516927e+01 | -7.105427357601002e-14 | -3.552713678800501e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.790974154516931e+01 | -1.136868377216160e-13 | -5.684341886080801e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.790974154516935e+01 | -1.492139745096210e-13 | -7.460698725481052e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.790974154516933e+01 | -1.278976924368180e-13 | -6.394884621840902e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.790974154516931e+01 | -1.136868377216160e-13 | -5.684341886080801e-01 | PASS |