Match comparison for Multipoles [step 0] (match type 29256)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 1.000000000000000e-15 | -1.466080747881006e-16 | 1.292755564514816e-16 | -3.683917084992192e-17 | 3.098223215252375e-16 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 0.0, precision: 0.000000000000001| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.254574855016609e-16 | -2.254574855016609e-16 | -2.254574855016609e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.041944913112202e-16 | -3.041944913112202e-16 | -3.041944913112202e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.542199892844154e-16 | -1.542199892844154e-16 | -1.542199892844154e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.445346239789558e-16 | -1.445346239789558e-16 | -1.445346239789558e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -1.542199892844154e-16 | -1.542199892844154e-16 | -1.542199892844154e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.542199892844154e-16 | -1.542199892844154e-16 | -1.542199892844154e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.466614923751594e-16 | -3.466614923751594e-16 | -3.466614923751594e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -1.542199892844154e-16 | -1.542199892844154e-16 | -1.542199892844154e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.954735657792929e-16 | -2.954735657792929e-16 | -2.954735657792928e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.954735657792929e-16 | -2.954735657792929e-16 | -2.954735657792928e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.466614923751594e-16 | -3.466614923751594e-16 | -3.466614923751594e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 4.939338489044747e-17 | 4.939338489044747e-17 | 4.939338489044746e-02 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.492858676034408e-16 | -1.492858676034408e-16 | -1.492858676034408e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.459622527474050e-16 | -3.459622527474050e-16 | -3.459622527474050e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -2.090132340783759e-16 | -2.090132340783759e-16 | -2.090132340783759e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.440316366612382e-16 | 1.440316366612382e-16 | 1.440316366612382e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 2.729831506753156e-16 | 2.729831506753156e-16 | 2.729831506753156e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.313299839266231e-16 | -2.313299839266231e-16 | -2.313299839266230e-01 | PASS |