Match comparison for Benzene Multipoles [step 20] (match type 23477)
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094606330454702e-02 | 1.760000000000000e-14 | -2.094606330454106e-02 | 7.066230153389382e-15 | -2.094606330454733e-02 | 1.548761119352093e-14 | PASS |
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Detailed information
Reference: -0.02094606330454702, precision: 0.0000000000000176| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -2.094606330454825e-02 | -1.228184220991579e-15 | -6.978319437452156e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.094606330454825e-02 | -1.228184220991579e-15 | -6.978319437452156e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.094606330453802e-02 | 8.999745393367675e-15 | 5.113491700777089e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -2.094606330454372e-02 | 3.302913498259841e-15 | 1.876655396738546e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -2.094606330453447e-02 | 1.254898962521622e-14 | 7.130107741600127e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -2.094606330453447e-02 | 1.254898962521622e-14 | 7.130107741600127e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -2.094606330453447e-02 | 1.254898962521622e-14 | 7.130107741600127e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.094606330453447e-02 | 1.254898962521622e-14 | 7.130107741600127e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -2.094606330453447e-02 | 1.254898962521622e-14 | 7.130107741600127e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -2.094606330453447e-02 | 1.254898962521622e-14 | 7.130107741600127e-01 | PASS |
| intel-serial: [intel2023a-serial] | -2.094606330455216e-02 | -5.134781488891349e-15 | -2.917489482324631e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.094606330453447e-02 | 1.254898962521622e-14 | 7.130107741600127e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -2.094606330453447e-02 | 1.254898962521622e-14 | 7.130107741600127e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.094606330453447e-02 | 1.254898962521622e-14 | 7.130107741600127e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -2.094606330454227e-02 | 4.753142324176451e-15 | 2.700649047827530e-01 | PASS |
| intel-omp: [intel2023a-serial] | -2.094606330454654e-02 | 4.787836793695988e-16 | 2.720361814599993e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.094606330454319e-02 | 3.826799988004836e-15 | 2.174318175002748e-01 | PASS |
| intel-omp: [intel2022a-serial] | -2.094606330454654e-02 | 4.787836793695988e-16 | 2.720361814599993e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.094606330454319e-02 | 3.826799988004836e-15 | 2.174318175002748e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -2.094606330454319e-02 | 3.826799988004836e-15 | 2.174318175002748e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -2.094606330453185e-02 | 1.517536096784511e-14 | 8.622364186275631e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -2.094606330454319e-02 | 3.826799988004836e-15 | 2.174318175002748e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.094606330453593e-02 | 1.108835245844375e-14 | 6.300200260479404e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.094606330453593e-02 | 1.108835245844375e-14 | 6.300200260479404e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -2.094606330453593e-02 | 1.108835245844375e-14 | 6.300200260479404e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.094606330455550e-02 | -8.475858903622679e-15 | -4.815828922512886e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -2.094606330454319e-02 | 3.826799988004836e-15 | 2.174318175002748e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -2.094606330454254e-02 | 4.482525461924070e-15 | 2.546889467002312e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -2.094606330453593e-02 | 1.108835245844375e-14 | 6.300200260479404e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -2.094606330454321e-02 | 3.812922200197022e-15 | 2.166433068293763e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.094606330456282e-02 | -1.579986141919676e-14 | -8.977193988179978e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -2.094606330454218e-02 | 4.843347944927245e-15 | 2.751902241435935e-01 | PASS |