Match comparison for Benzene Energy [step 0] (match type 20990)
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578235744470e+01 | 1.000000000000000e-04 | -3.744578880864107e+01 | 8.926966374162424e-14 | -3.744578880864113e+01 | 1.385558334732195e-13 | PASS |
Checks for this match
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Detailed information
Reference: -37.4457823574447, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.744578880864098e+01 | -6.451196284729122e-06 | -6.451196284729122e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744578880864098e+01 | -6.451196284729122e-06 | -6.451196284729122e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.744578880864101e+01 | -6.451196313150831e-06 | -6.451196313150831e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| intel-serial: [intel2023a-serial] | -3.744578880864124e+01 | -6.451196540524506e-06 | -6.451196540524506e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -3.744578880864113e+01 | -6.451196433943096e-06 | -6.451196433943096e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.744578880864126e+01 | -6.451196561840788e-06 | -6.451196561840788e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.744578880864126e+01 | -6.451196561840788e-06 | -6.451196561840788e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744578880864117e+01 | -6.451196469470233e-06 | -6.451196469470233e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744578880864101e+01 | -6.451196306045404e-06 | -6.451196306045404e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744578880864101e+01 | -6.451196306045404e-06 | -6.451196306045404e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.744578880864103e+01 | -6.451196327361686e-06 | -6.451196327361686e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744578880864124e+01 | -6.451196540524506e-06 | -6.451196540524506e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.744578880864104e+01 | -6.451196341572540e-06 | -6.451196341572540e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.744578880864101e+01 | -6.451196306045404e-06 | -6.451196306045404e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.744578880864101e+01 | -6.451196306045404e-06 | -6.451196306045404e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.744578880864118e+01 | -6.451196483681088e-06 | -6.451196483681088e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.744578880864107e+01 | -6.451196369994250e-06 | -6.451196369994250e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744578880864125e+01 | -6.451196554735361e-06 | -6.451196554735361e-02 | PASS |