Match comparison for Multipoles [step 103] (match type 29270)
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.990050594276555e-03 | 3.000000000000000e-13 | 3.990050594250620e-03 | 7.631710127835858e-14 | 3.990050594266265e-03 | 1.315575252902601e-13 | PASS |
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Detailed information
Reference: 0.003990050594276555, precision: 0.0000000000003| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 3.990050594195263e-03 | -8.129261153122513e-14 | -2.709753717707505e-01 | PASS |
| spack_foss-2022a_serial_min | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| spack_foss-2023a_serial_min | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| spack_foss-2023a_serial | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| spack_foss-2022a_serial | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| spack_foss-2022a_ppc | 3.990050594134708e-03 | -1.418474712688855e-13 | -4.728249042296184e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.990050594269952e-03 | -6.603224911305716e-15 | -2.201074970435239e-02 | PASS |
| spack_foss-2023a_mpi_min | 3.990050594306464e-03 | 2.990923481105412e-14 | 9.969744937018041e-02 | PASS |
| spack_foss-2022a_mpi_min | 3.990050594306464e-03 | 2.990923481105412e-14 | 9.969744937018041e-02 | PASS |
| cmake_foss_2022a_full_mpi | 3.990050594293931e-03 | 1.737585769712169e-14 | 5.791952565707230e-02 | PASS |
| spack_foss-2023a_serial_debug | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.990050594306464e-03 | 2.990923481105412e-14 | 9.969744937018041e-02 | PASS |
| spack_foss-2022a_mpi | 3.990050594306464e-03 | 2.990923481105412e-14 | 9.969744937018041e-02 | PASS |
| spack_foss-2023a_mpi | 3.990050594306464e-03 | 2.990923481105412e-14 | 9.969744937018041e-02 | PASS |
| spack_foss-2022a_cuda_serial | 3.990050594297643e-03 | 2.108816593571206e-14 | 7.029388645237353e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.990050594305832e-03 | 2.927692810406057e-14 | 9.758976034686859e-02 | PASS |
| spack_foss-2023a_mpi_debug | 3.990050594306464e-03 | 2.990923481105412e-14 | 9.969744937018041e-02 | PASS |
| spack_foss-2023a_mpi_omp | 3.990050594254869e-03 | -2.168577817318607e-14 | -7.228592724395355e-02 | PASS |
| spack_foss-2023a_serial_opt | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| spack_foss-2023b_serial | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| spack_foss-2023a_serial_omp | 3.990050594397823e-03 | 1.212675793116347e-13 | 4.042252643721156e-01 | PASS |
| spack_intel-2023a_serial | 3.990050594172964e-03 | -1.035916144531690e-13 | -3.453053815105633e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.990050594386532e-03 | 1.099771315682396e-13 | 3.665904385607988e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.990050594386532e-03 | 1.099771315682396e-13 | 3.665904385607988e-01 | PASS |
| spack_intel-2023a_impi | 3.990050594256210e-03 | -2.034483692625599e-14 | -6.781612308751998e-02 | PASS |
| spack_intel-2022a_impi_omp | 3.990050594274713e-03 | -1.842276331487369e-15 | -6.140921104957897e-03 | PASS |
| spack_foss-2023a_valgrind | 3.990050594176784e-03 | -9.977088599733008e-14 | -3.325696199911003e-01 | PASS |