Match comparison for Multipoles [step 103] (match type 29270)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 | 3.990050594276142e-03 | 1.111967320186334e-13 | 3.990050594313721e-03 | 1.790130543799506e-13 | PASS |
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Detailed information
Reference: 0.003990050594276555, precision: 0.0000000000003| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 3.990050594172964e-03 | -1.035916144531690e-13 | -3.453053815105633e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 3.990050594195263e-03 | -8.129261153122513e-14 | -2.709753717707505e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 3.990050594492734e-03 | 2.161786374910157e-13 | 7.205954583033858e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 3.990050594397823e-03 | 1.212675793116347e-13 | 4.042252643721156e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | 3.990050594492734e-03 | 2.161786374910157e-13 | 7.205954583033858e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 3.990050594306464e-03 | 2.990923481105412e-14 | 9.969744937018041e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 3.990050594492734e-03 | 2.161786374910157e-13 | 7.205954583033858e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 3.990050594306464e-03 | 2.990923481105412e-14 | 9.969744937018041e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 3.990050594306464e-03 | 2.990923481105412e-14 | 9.969744937018041e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 3.990050594386532e-03 | 1.099771315682396e-13 | 3.665904385607988e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 3.990050594171853e-03 | -1.047027048395321e-13 | -3.490090161317738e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | 3.990050594492734e-03 | 2.161786374910157e-13 | 7.205954583033858e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 3.990050594293931e-03 | 1.737585769712169e-14 | 5.791952565707230e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 3.990050594293931e-03 | 1.737585769712169e-14 | 5.791952565707230e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 3.990050594386532e-03 | 1.099771315682396e-13 | 3.665904385607988e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 3.990050594134708e-03 | -1.418474712688855e-13 | -4.728249042296184e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 3.990050594306464e-03 | 2.990923481105412e-14 | 9.969744937018041e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 3.990050594254869e-03 | -2.168577817318607e-14 | -7.228592724395355e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 3.990050594274713e-03 | -1.842276331487369e-15 | -6.140921104957897e-03 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | 3.990050594156216e-03 | -1.203395022519871e-13 | -4.011316741732903e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 3.990050594307226e-03 | 3.067077841700794e-14 | 1.022359280566931e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 3.990050594305993e-03 | 2.943739002558843e-14 | 9.812463341862809e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 3.990050594256210e-03 | -2.034483692625599e-14 | -6.781612308751998e-02 | PASS |