Match comparison for Benzene Energy [step 20] (match type 20991)
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
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 | -3.744529933934517e+01 | 7.783605688944791e-14 | -3.744529933934520e+01 | 1.918465386552271e-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 |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.744529933934511e+01 | -6.448563645733429e-06 | -6.448563645733429e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744529933934511e+01 | -6.448563652838857e-06 | -6.448563652838857e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -3.744529933934518e+01 | -6.448563723893130e-06 | -6.448563723893130e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| foss-serial-min: [foss2022a-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-serial-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 |
| intel_omp_autotools: [intel2022a-serial] | -3.744529933934533e+01 | -6.448563866001678e-06 | -6.448563866001678e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.744529933934533e+01 | -6.448563866001678e-06 | -6.448563866001678e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| intel-serial: [intel2023a-serial] | -3.744529933934523e+01 | -6.448563766525695e-06 | -6.448563766525695e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744529933934512e+01 | -6.448563659944284e-06 | -6.448563659944284e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -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 |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.744529933934511e+01 | -6.448563645733429e-06 | -6.448563645733429e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744529933934511e+01 | -6.448563645733429e-06 | -6.448563645733429e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.744529933934511e+01 | -6.448563645733429e-06 | -6.448563645733429e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-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_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744529933934517e+01 | -6.448563709682276e-06 | -6.448563709682276e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-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 |
| cuda-serial: [foss2022a-cuda-mpi] | -3.744529933934501e+01 | -6.448563553362874e-06 | -6.448563553362874e-02 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -3.744529933934507e+01 | -6.448563610206293e-06 | -6.448563610206293e-02 | PASS |