Match comparison for Benzene Energy [step 20] (match type 20991)
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 |
| -3.744529289078146e+01 | 1.000000000000000e-04 | -3.744529933934520e+01 | 1.088004667374753e-13 | -3.744529933934520e+01 | 1.989519660128281e-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.
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Detailed information
Reference: -37.44529289078146, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -3.744529933934525e+01 | -6.448563794947404e-06 | -6.448563794947404e-02 | PASS |
| foss-serial: [foss2023a-serial] | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.744529933934537e+01 | -6.448563908634242e-06 | -6.448563908634242e-02 | PASS |
| ppc: [foss2023a-serial] | -3.744529933934521e+01 | -6.448563752314840e-06 | -6.448563752314840e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.744529933934515e+01 | -6.448563695471421e-06 | -6.448563695471421e-02 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.744529933934515e+01 | -6.448563695471421e-06 | -6.448563695471421e-02 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.744529933934537e+01 | -6.448563908634242e-06 | -6.448563908634242e-02 | PASS |
| foss-parallel: [foss2023a-mpi] | -3.744529933934515e+01 | -6.448563695471421e-06 | -6.448563695471421e-02 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.744529933934516e+01 | -6.448563702576848e-06 | -6.448563702576848e-02 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.744529933934540e+01 | -6.448563937055951e-06 | -6.448563937055951e-02 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.744529933934518e+01 | -6.448563723893130e-06 | -6.448563723893130e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.744529933934500e+01 | -6.448563539152019e-06 | -6.448563539152019e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -3.744529933934506e+01 | -6.448563595995438e-06 | -6.448563595995438e-02 | PASS |