Match comparison for Benzene Multipoles [step 0] (match type 20992)
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
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 | 4.208242667100043e-15 | 7.426428002885371e-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 |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -7.174657253009115e-15 | -7.174657253009115e-15 | -7.174657253009114e-05 | PASS |
| cmake_foss_2022a_full_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| spack_foss-2022a_ppc | -7.174657253009115e-15 | -7.174657253009115e-15 | -7.174657253009114e-05 | PASS |
| spack_foss-2023a_serial_opt | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| cmake_foss_2022a_min_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| cmake_foss_2022a_min_mpi | -3.842122168190644e-15 | -3.842122168190644e-15 | -3.842122168190644e-05 | PASS |
| cmake_foss_2022a_full_mpi | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| spack_foss-2022a_mpi | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| spack_foss-2022a_mpi_min | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| spack_foss-2022a_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| spack_foss-2022a_serial_min | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| spack_foss-2023a_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| spack_foss-2023a_mpi_min | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| spack_foss-2023a_mpi | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| spack_foss-2023a_serial_min | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| spack_foss-2023a_mpi_opt | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| spack_foss-2023a_serial_debug | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| spack_foss-2023b_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| spack_foss-2023a_serial_omp | 1.402531684074280e-14 | 1.402531684074280e-14 | 1.402531684074280e-04 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 1.402531684074280e-14 | 1.402531684074280e-14 | 1.402531684074280e-04 | PASS |
| spack_foss-2023a_mpi_debug | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| spack_intel-2022a_serial_omp | -8.151466198038551e-15 | -8.151466198038551e-15 | -8.151466198038550e-05 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| spack_foss-2023a_mpi_omp | 1.064485585861505e-14 | 1.064485585861505e-14 | 1.064485585861505e-04 | PASS |
| spack_intel-2023a_serial | -1.226866768226279e-14 | -1.226866768226279e-14 | -1.226866768226279e-04 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -1.226866768226279e-14 | -1.226866768226279e-14 | -1.226866768226279e-04 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -8.151466198038551e-15 | -8.151466198038551e-15 | -8.151466198038550e-05 | PASS |
| spack_intel-2023a_impi | 6.410158547691139e-15 | 6.410158547691139e-15 | 6.410158547691138e-05 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -8.151466198038551e-15 | -8.151466198038551e-15 | -8.151466198038550e-05 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 6.887881240594797e-15 | 6.887881240594797e-15 | 6.887881240594797e-05 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | 6.410158547691139e-15 | 6.410158547691139e-15 | 6.410158547691138e-05 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -3.842122168190644e-05 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -3.842122168190644e-05 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -3.842122168190644e-05 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -3.842122168190644e-05 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | 1.064485585861505e-14 | 1.064485585861505e-14 | 1.064485585861505e-04 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 1.111003115582031e-04 | PASS |
| spack_intel-2023a_serial_omp | -8.151466198038551e-15 | -8.151466198038551e-15 | -8.151466198038550e-05 | PASS |
| spack_intel-2022a_impi_omp | -7.911717192213887e-15 | -7.911717192213887e-15 | -7.911717192213887e-05 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.510418736695378e-15 | -1.510418736695378e-15 | -1.510418736695378e-05 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -7.911717192213887e-15 | -7.911717192213887e-15 | -7.911717192213887e-05 | PASS |
| spack_foss-2022a_cuda_serial | 5.978209147554571e-15 | 5.978209147554571e-15 | 5.978209147554571e-05 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 5.978209147554571e-15 | 5.978209147554571e-15 | 5.978209147554571e-05 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.510418736695378e-15 | -1.510418736695378e-15 | -1.510418736695378e-05 | PASS |