Match comparison for Benzene Multipoles [step 0] (match type 20992)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 1.000000000000000e-10 | 3.735355260081751e-15 | 7.398432294275451e-15 | 8.783245792400031e-16 | 1.314699226150280e-14 | PASS |
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Detailed information
Reference: 0.0, precision: 0.0000000001| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| foss_min_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| foss_min_autotools: [foss2023b-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| foss_autotools: [foss2022a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| foss_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -3.842122168190644e-05 | PASS |
| intel_autotools: [intel2023a-serial] | -1.226866768226279e-14 | -1.226866768226279e-14 | -1.226866768226279e-04 | PASS |
| foss_autotools: [foss2023b-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 1.402531684074280e-14 | 1.402531684074280e-14 | 1.402531684074280e-04 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -3.842122168190644e-05 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -3.842122168190644e-05 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -8.151466198038551e-15 | -8.151466198038551e-15 | -8.151466198038550e-05 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -3.842122168190644e-05 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -8.151466198038551e-15 | -8.151466198038551e-15 | -8.151466198038550e-05 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -7.174657253009115e-15 | -7.174657253009115e-15 | -7.174657253009114e-05 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.064485585861505e-14 | 1.064485585861505e-14 | 1.064485585861505e-04 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -7.911717192213887e-15 | -7.911717192213887e-15 | -7.911717192213887e-05 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 5.978209147554571e-15 | 5.978209147554571e-15 | 5.978209147554571e-05 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.510418736695378e-15 | -1.510418736695378e-15 | -1.510418736695378e-05 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 6.410158547691139e-15 | 6.410158547691139e-15 | 6.410158547691138e-05 | PASS |