Match comparison for Multipoles [step 83] (match type 29269)
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 |
| 6.218975443429170e-04 | 3.000000000000000e-13 | 6.218975442967773e-04 | 8.870831254911157e-14 | 6.218975442871008e-04 | 1.610732489228106e-13 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.000621897544342917, precision: 0.0000000000003| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 6.218975442481705e-04 | -9.474658470981501e-14 | -3.158219490327167e-01 | PASS |
| spack_foss-2022a_serial_min | 6.218975442168033e-04 | -1.261137461822104e-13 | -4.203791539407013e-01 | PASS |
| spack_foss-2023a_serial_min | 6.218975442168033e-04 | -1.261137461822104e-13 | -4.203791539407013e-01 | PASS |
| spack_foss-2023a_serial | 6.218975442168033e-04 | -1.261137461822104e-13 | -4.203791539407013e-01 | PASS |
| spack_foss-2022a_serial | 6.218975442168033e-04 | -1.261137461822104e-13 | -4.203791539407013e-01 | PASS |
| spack_foss-2022a_ppc | 6.218975441260276e-04 | -2.168894404352972e-13 | -7.229648014509908e-01 | PASS |
| cmake_foss_2022a_min_serial | 6.218975442168033e-04 | -1.261137461822104e-13 | -4.203791539407013e-01 | PASS |
| cmake_foss_2022a_min_mpi | 6.218975443416346e-04 | -1.282394329615855e-15 | -4.274647765386183e-03 | PASS |
| spack_foss-2023a_mpi_min | 6.218975443212334e-04 | -2.168360976884109e-14 | -7.227869922947032e-02 | PASS |
| spack_foss-2022a_mpi_min | 6.218975443212334e-04 | -2.168360976884109e-14 | -7.227869922947032e-02 | PASS |
| cmake_foss_2022a_full_mpi | 6.218975443104193e-04 | -3.249776749786326e-14 | -1.083258916595442e-01 | PASS |
| spack_foss-2023a_serial_debug | 6.218975442168033e-04 | -1.261137461822104e-13 | -4.203791539407013e-01 | PASS |
| spack_foss-2023a_mpi_opt | 6.218975443212334e-04 | -2.168360976884109e-14 | -7.227869922947032e-02 | PASS |
| spack_foss-2022a_mpi | 6.218975443212334e-04 | -2.168360976884109e-14 | -7.227869922947032e-02 | PASS |
| spack_foss-2023a_mpi | 6.218975443212334e-04 | -2.168360976884109e-14 | -7.227869922947032e-02 | PASS |
| spack_foss-2022a_cuda_serial | 6.218975444205211e-04 | 7.760404732021220e-14 | 2.586801577340407e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 6.218975444243956e-04 | 8.147855220380640e-14 | 2.715951740126880e-01 | PASS |
| spack_foss-2023a_mpi_debug | 6.218975443212334e-04 | -2.168360976884109e-14 | -7.227869922947032e-02 | PASS |
| spack_foss-2023a_mpi_omp | 6.218975443803523e-04 | 3.743522419136225e-14 | 1.247840806378742e-01 | PASS |
| spack_foss-2023a_serial_opt | 6.218975442168033e-04 | -1.261137461822104e-13 | -4.203791539407013e-01 | PASS |
| spack_foss-2023b_serial | 6.218975442168033e-04 | -1.261137461822104e-13 | -4.203791539407013e-01 | PASS |
| spack_foss-2023a_serial_omp | 6.218975444368745e-04 | 9.395750236868006e-14 | 3.131916745622669e-01 | PASS |
| spack_intel-2023a_serial | 6.218975442041908e-04 | -1.387262700547343e-13 | -4.624209001824475e-01 | PASS |
| spack_intel-2022a_serial_omp | 6.218975444481741e-04 | 1.052570574103240e-13 | 3.508568580344133e-01 | PASS |
| spack_intel-2023a_serial_omp | 6.218975444481741e-04 | 1.052570574103240e-13 | 3.508568580344133e-01 | PASS |
| spack_intel-2023a_impi | 6.218975442960681e-04 | -4.684891797418489e-14 | -1.561630599139496e-01 | PASS |
| spack_intel-2022a_impi_omp | 6.218975443783449e-04 | 3.542782386900534e-14 | 1.180927462300178e-01 | PASS |
| spack_foss-2023a_valgrind | 6.218975441845903e-04 | -1.583266937693617e-13 | -5.277556458978724e-01 | PASS |