Match comparison for Multipoles [step 103] (match type 30957)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.943654428896824e-03 | 1.990000000000000e-13 | 3.943654428872351e-03 | 1.468350497481478e-13 | 3.943654428896824e-03 | 1.804710894615091e-13 | PASS |
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Detailed information
Reference: 0.003943654428896824, precision: 0.000000000000199| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 3.943654429051575e-03 | 1.547512118449390e-13 | 7.776442806278342e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 3.943654428803014e-03 | -9.380950877213579e-14 | -4.714045666941497e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 3.943654428952741e-03 | 5.591707652463640e-14 | 2.809903342946553e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 3.943654428803014e-03 | -9.380950877213579e-14 | -4.714045666941497e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 3.943654428803014e-03 | -9.380950877213579e-14 | -4.714045666941497e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 3.943654428803014e-03 | -9.380950877213579e-14 | -4.714045666941497e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 3.943654428716353e-03 | -1.804710894615091e-13 | -9.068898967915031e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 3.943654428716353e-03 | -1.804710894615091e-13 | -9.068898967915031e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 3.943654428719201e-03 | -1.776226735139552e-13 | -8.925762488138452e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 3.943654428716896e-03 | -1.799281210135284e-13 | -9.041614121282834e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 3.943654428719201e-03 | -1.776226735139552e-13 | -8.925762488138452e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 3.943654428719418e-03 | -1.774058330794581e-13 | -8.914865983892367e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 3.943654428719201e-03 | -1.776226735139552e-13 | -8.925762488138452e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 3.943654428719418e-03 | -1.774058330794581e-13 | -8.914865983892367e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 3.943654429077295e-03 | 1.804710894615091e-13 | 9.068898967915031e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 3.943654428755892e-03 | -1.409315372735698e-13 | -7.081986797666823e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 3.943654428719201e-03 | -1.776226735139552e-13 | -8.925762488138452e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 3.943654428817111e-03 | -7.971314580634825e-14 | -4.005685718911972e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 3.943654428749477e-03 | -1.473465446877320e-13 | -7.404348979283015e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 3.943654428793634e-03 | -1.031900259684804e-13 | -5.185428440627154e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | 3.943654429028228e-03 | 1.314044359435051e-13 | 6.603237987110812e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 3.943654428725619e-03 | -1.712050640145790e-13 | -8.603269548471307e-01 | PASS |