Match comparison for Benzene Energy [step 0] (match type 24557)
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578235744467e+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: -37.44578235744467, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744578880864098e+01 | -6.451196313150831e-06 | -6.451196313150831e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.744578880864098e+01 | -6.451196313150831e-06 | -6.451196313150831e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.744578880864101e+01 | -6.451196341572540e-06 | -6.451196341572540e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -3.744578880864113e+01 | -6.451196462364805e-06 | -6.451196462364805e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.744578880864126e+01 | -6.451196590262498e-06 | -6.451196590262498e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.744578880864126e+01 | -6.451196590262498e-06 | -6.451196590262498e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744578880864124e+01 | -6.451196568946216e-06 | -6.451196568946216e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744578880864117e+01 | -6.451196497891942e-06 | -6.451196497891942e-02 | PASS |
| intel-serial: [intel2023a-serial] | -3.744578880864124e+01 | -6.451196568946216e-06 | -6.451196568946216e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.744578880864101e+01 | -6.451196334467113e-06 | -6.451196334467113e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.744578880864101e+01 | -6.451196334467113e-06 | -6.451196334467113e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744578880864101e+01 | -6.451196334467113e-06 | -6.451196334467113e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744578880864101e+01 | -6.451196334467113e-06 | -6.451196334467113e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744578880864125e+01 | -6.451196583157071e-06 | -6.451196583157071e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.744578880864118e+01 | -6.451196512102797e-06 | -6.451196512102797e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.744578880864107e+01 | -6.451196398415959e-06 | -6.451196398415959e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.744578880864104e+01 | -6.451196369994250e-06 | -6.451196369994250e-02 | PASS |