Match comparison for Benzene Energy [step 0] (match type 20990)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
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 | -3.744578880864114e+01 | 7.714107818258178e-14 | -3.744578880864113e+01 | 1.172395514004165e-13 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -37.4457823574447, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -3.744578880864123e+01 | -6.451196533419079e-06 | -6.451196533419079e-02 | PASS |
| foss-serial: [foss2023a-serial] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.744578880864121e+01 | -6.451196512102797e-06 | -6.451196512102797e-02 | PASS |
| ppc: [foss2023a-serial] | -3.744578880864115e+01 | -6.451196448153951e-06 | -6.451196448153951e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.744578880864117e+01 | -6.451196469470233e-06 | -6.451196469470233e-02 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.744578880864117e+01 | -6.451196469470233e-06 | -6.451196469470233e-02 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.744578880864121e+01 | -6.451196512102797e-06 | -6.451196512102797e-02 | PASS |
| foss-parallel: [foss2023a-mpi] | -3.744578880864117e+01 | -6.451196469470233e-06 | -6.451196469470233e-02 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.744578880864118e+01 | -6.451196483681088e-06 | -6.451196483681088e-02 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.744578880864124e+01 | -6.451196540524506e-06 | -6.451196540524506e-02 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.744578880864115e+01 | -6.451196448153951e-06 | -6.451196448153951e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.744578880864101e+01 | -6.451196306045404e-06 | -6.451196306045404e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -3.744578880864101e+01 | -6.451196313150831e-06 | -6.451196313150831e-02 | PASS |