Match comparison for Benzene Energy [step 0] (match type 24557)
Commits >
Commit b08cdf9f90eeeab45fcb6d927fb00af611869fe1 >
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 | -3.744578880864115e+01 | 9.407492378379348e-14 | -3.744578880864114e+01 | 1.598721155460225e-13 | PASS |
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Detailed information
Reference: -37.44578235744467, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-parallel: [foss2023a-mpi] | -3.744578880864118e+01 | -6.451196512102797e-06 | -6.451196512102797e-02 | PASS |
| foss-serial-zen4: [foss2023a-serial] | -3.744578880864098e+01 | -6.451196313150831e-06 | -6.451196313150831e-02 | PASS |
| intel-serial: [intel2023a-serial] | -3.744578880864130e+01 | -6.451196632895062e-06 | -6.451196632895062e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.744578880864124e+01 | -6.451196568946216e-06 | -6.451196568946216e-02 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.744578880864124e+01 | -6.451196568946216e-06 | -6.451196568946216e-02 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -3.744578880864116e+01 | -6.451196490786515e-06 | -6.451196490786515e-02 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -3.744578880864114e+01 | -6.451196469470233e-06 | -6.451196469470233e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.744578880864118e+01 | -6.451196512102797e-06 | -6.451196512102797e-02 | PASS |
| foss-serial: [foss2023a-serial] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.744578880864118e+01 | -6.451196512102797e-06 | -6.451196512102797e-02 | PASS |
| ppc: [foss2023a-serial] | -3.744578880864113e+01 | -6.451196462364805e-06 | -6.451196462364805e-02 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.744578880864125e+01 | -6.451196583157071e-06 | -6.451196583157071e-02 | PASS |
| intel-serial-debug: [intel2023a-serial] | -3.744578880864130e+01 | -6.451196632895062e-06 | -6.451196632895062e-02 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.744578880864115e+01 | -6.451196483681088e-06 | -6.451196483681088e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.744578880864103e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.744578880864117e+01 | -6.451196497891942e-06 | -6.451196497891942e-02 | PASS |