Match comparison for Benzene Energy [step 20] (match type 20991)
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
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 | -3.744529933934518e+01 | 8.473867031697000e-14 | -3.744529933934523e+01 | 1.634248292248230e-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 |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -3.744529933934507e+01 | -6.448563610206293e-06 | -6.448563610206293e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.744529933934507e+01 | -6.448563610206293e-06 | -6.448563610206293e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -3.744529933934523e+01 | -6.448563766525695e-06 | -6.448563766525695e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -3.744529933934518e+01 | -6.448563723893130e-06 | -6.448563723893130e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.744529933934511e+01 | -6.448563645733429e-06 | -6.448563645733429e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.744529933934533e+01 | -6.448563866001678e-06 | -6.448563866001678e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744529933934512e+01 | -6.448563659944284e-06 | -6.448563659944284e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.744529933934533e+01 | -6.448563866001678e-06 | -6.448563866001678e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.744529933934511e+01 | -6.448563645733429e-06 | -6.448563645733429e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744529933934533e+01 | -6.448563866001678e-06 | -6.448563866001678e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.744529933934511e+01 | -6.448563645733429e-06 | -6.448563645733429e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.744529933934518e+01 | -6.448563716787703e-06 | -6.448563716787703e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744529933934540e+01 | -6.448563937055951e-06 | -6.448563937055951e-02 | PASS |