Match comparison for Multipoles [step 0] (match type 31024)
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
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 | -2.461753967122102e-16 | 1.798150504268998e-16 | -2.239558100785623e-16 | 3.216628940634430e-16 | PASS |
Checks for this match
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Zen 4 builders have different values.
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Detailed information
Reference: 0.0, precision: 0.000000000000001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -5.456187041420053e-16 | -5.456187041420053e-16 | -5.456187041420053e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -5.194606032349887e-16 | -5.194606032349887e-16 | -5.194606032349887e-01 | PASS |
| foss-ppc: [foss2022a-serial] | 8.236266439747214e-17 | 8.236266439747214e-17 | 8.236266439747214e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.281110270360303e-17 | 1.281110270360303e-17 | 1.281110270360303e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.281110270360303e-17 | 1.281110270360303e-17 | 1.281110270360303e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -5.188860056131892e-16 | -5.188860056131892e-16 | -5.188860056131892e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.029172890620044e-16 | -3.029172890620044e-16 | -3.029172890620044e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -5.177385354548231e-16 | -5.177385354548231e-16 | -5.177385354548231e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.030428202212835e-16 | -1.030428202212835e-16 | -1.030428202212835e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.029172890620044e-16 | -3.029172890620044e-16 | -3.029172890620044e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.029172890620044e-16 | -3.029172890620044e-16 | -3.029172890620044e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.029172890620044e-16 | -3.029172890620044e-16 | -3.029172890620044e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.029172890620044e-16 | -3.029172890620044e-16 | -3.029172890620044e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.029172890620044e-16 | -3.029172890620044e-16 | -3.029172890620044e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.670567872304054e-16 | -1.670567872304054e-16 | -1.670567872304054e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.029172890620044e-16 | -3.029172890620044e-16 | -3.029172890620044e-01 | PASS |
| intel-serial: [intel2023a-serial] | -1.007044723284876e-16 | -1.007044723284876e-16 | -1.007044723284876e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.670567872304054e-16 | -1.670567872304054e-16 | -1.670567872304054e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -5.047790935464971e-16 | -5.047790935464971e-16 | -5.047790935464971e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.658381246378730e-16 | -1.658381246378730e-16 | -1.658381246378730e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -2.999486993969210e-16 | -2.999486993969210e-16 | -2.999486993969209e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.658381246378730e-16 | -1.658381246378730e-16 | -1.658381246378730e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.658381246378730e-16 | -1.658381246378730e-16 | -1.658381246378730e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -2.999486993969210e-16 | -2.999486993969210e-16 | -2.999486993969209e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.010961695552872e-16 | -3.010961695552872e-16 | -3.010961695552871e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.010961695552872e-16 | -3.010961695552872e-16 | -3.010961695552871e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.010961695552872e-16 | -3.010961695552872e-16 | -3.010961695552871e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.010961695552872e-16 | -3.010961695552872e-16 | -3.010961695552871e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.520397959835196e-17 | 1.520397959835196e-17 | 1.520397959835196e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -5.049155564350809e-16 | -5.049155564350809e-16 | -5.049155564350809e-01 | PASS |
| valgrind: [foss2023a-serial] | -3.011104908709202e-16 | -3.011104908709202e-16 | -3.011104908709202e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 9.770708398488072e-17 | 9.770708398488072e-17 | 9.770708398488070e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 2.790330577988076e-17 | 2.790330577988076e-17 | 2.790330577988075e-02 | PASS |