Match comparison for Multipoles [step 0] (match type 29256)
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
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 | -1.364930039161437e-16 | 1.248191467539452e-16 | -5.472979828762256e-17 | 2.919316940875369e-16 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.0, precision: 0.000000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023a_serial_min | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2022a_ppc | 4.939338489044747e-17 | 4.939338489044747e-17 | 4.939338489044746e-02 | PASS |
| spack_foss-2022a_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023a_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023b_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.445346239789558e-16 | -1.445346239789558e-16 | -1.445346239789558e-01 | PASS |
| spack_foss-2022a_mpi | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023a_mpi | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.041944913112202e-16 | -3.041944913112202e-16 | -3.041944913112202e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.254574855016609e-16 | -2.254574855016609e-16 | -2.254574855016609e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -1.445346239789558e-16 | -1.445346239789558e-16 | -1.445346239789558e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.466614923751594e-16 | -3.466614923751594e-16 | -3.466614923751594e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.466614923751594e-16 | -3.466614923751594e-16 | -3.466614923751594e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.313299839266231e-16 | -2.313299839266231e-16 | -2.313299839266230e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | 4.939338489044747e-17 | 4.939338489044747e-17 | 4.939338489044746e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 9.524002314439342e-17 | 9.524002314439342e-17 | 9.524002314439342e-02 | PASS |
| spack_foss-2023a_mpi_debug | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.492858676034408e-16 | -1.492858676034408e-16 | -1.492858676034408e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -1.542199892844154e-16 | -1.542199892844154e-16 | -1.542199892844154e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -1.542199892844154e-16 | -1.542199892844154e-16 | -1.542199892844154e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -1.492858676034408e-16 | -1.492858676034408e-16 | -1.492858676034408e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.041944913112202e-16 | -3.041944913112202e-16 | -3.041944913112202e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.542199892844154e-16 | -1.542199892844154e-16 | -1.542199892844154e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.459622527474050e-16 | -3.459622527474050e-16 | -3.459622527474050e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.954735657792929e-16 | -2.954735657792929e-16 | -2.954735657792928e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.459622527474050e-16 | -3.459622527474050e-16 | -3.459622527474050e-01 | PASS |
| spack_intel-2023a_serial | -2.254574855016609e-16 | -2.254574855016609e-16 | -2.254574855016609e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.466614923751594e-16 | -3.466614923751594e-16 | -3.466614923751594e-01 | PASS |
| spack_intel-2023a_impi | -2.313299839266231e-16 | -2.313299839266231e-16 | -2.313299839266230e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.865596158995210e-16 | 1.865596158995210e-16 | 1.865596158995210e-01 | PASS |
| spack_foss-2023a_valgrind | -1.009122671384776e-16 | -1.009122671384776e-16 | -1.009122671384776e-01 | PASS |
| GCI_foss_valgrind_autotools: [foss2023a-serial] | -2.090132340783759e-16 | -2.090132340783759e-16 | -2.090132340783759e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 2.165276188836993e-16 | 2.165276188836993e-16 | 2.165276188836992e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.954735657792929e-16 | -2.954735657792929e-16 | -2.954735657792928e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -1.542199892844154e-16 | -1.542199892844154e-16 | -1.542199892844154e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.372018957999143e-16 | 2.372018957999143e-16 | 2.372018957999143e-01 | PASS |