Match comparison for Multipoles [step 103] (match type 30957)
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.943654428877074e-03 | 2.080000000000000e-13 | 3.943654428806553e-03 | 1.238469540085103e-13 | 3.943654428877074e-03 | 1.893450674028685e-13 | PASS |
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Detailed information
Reference: 0.003943654428877074, precision: 0.000000000000208| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 3.943654429051835e-03 | 1.747612471403315e-13 | 8.401983035592859e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 3.943654428909853e-03 | 3.277846744031976e-14 | 1.575887857707681e-01 | PASS |
| foss-ppc: [foss2022a-serial] | 3.943654429054285e-03 | 1.772106766884107e-13 | 8.519744071558208e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 3.943654428687729e-03 | -1.893450674028685e-13 | -9.103128240522523e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 3.943654428769401e-03 | -1.076725514304044e-13 | -5.176564972615598e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 3.943654428789734e-03 | -8.733985756848028e-14 | -4.199031613869245e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | 3.943654428789734e-03 | -8.733985756848028e-14 | -4.199031613869245e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 3.943654428691562e-03 | -1.855121958826977e-13 | -8.918855571283545e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 3.943654428691562e-03 | -1.855121958826977e-13 | -8.918855571283545e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 3.943654428789734e-03 | -8.733985756848028e-14 | -4.199031613869245e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 3.943654428789734e-03 | -8.733985756848028e-14 | -4.199031613869245e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 3.943654428789734e-03 | -8.733985756848028e-14 | -4.199031613869245e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 3.943654428789734e-03 | -8.733985756848028e-14 | -4.199031613869245e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 3.943654429036076e-03 | 1.590021517228202e-13 | 7.644334217443277e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 3.943654428789734e-03 | -8.733985756848028e-14 | -4.199031613869245e-01 | PASS |
| intel-serial: [intel2023a-serial] | 3.943654429066419e-03 | 1.893450674028685e-13 | 9.103128240522523e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 3.943654429036076e-03 | 1.590021517228202e-13 | 7.644334217443277e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 3.943654428744187e-03 | -1.328867571537273e-13 | -6.388786401621507e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 3.943654428691036e-03 | -1.860378170959187e-13 | -8.944125821919169e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 3.943654428703630e-03 | -1.734437246603271e-13 | -8.338640608669572e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 3.943654428718695e-03 | -1.583793859949445e-13 | -7.614393557449255e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 3.943654428703630e-03 | -1.734437246603271e-13 | -8.338640608669572e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 3.943654428703630e-03 | -1.734437246603271e-13 | -8.338640608669572e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 3.943654428729250e-03 | -1.478244610053636e-13 | -7.106945240642482e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 3.943654428718695e-03 | -1.583793859949445e-13 | -7.614393557449255e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 3.943654428729250e-03 | -1.478244610053636e-13 | -7.106945240642482e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 3.943654428729250e-03 | -1.478244610053636e-13 | -7.106945240642482e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 3.943654428729250e-03 | -1.478244610053636e-13 | -7.106945240642482e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 3.943654428768571e-03 | -1.085034839753973e-13 | -5.216513652663334e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 3.943654428764321e-03 | -1.127526891298025e-13 | -5.420802362009737e-01 | PASS |
| valgrind: [foss2023a-serial] | 3.943654429062202e-03 | 1.851279546327689e-13 | 8.900382434267734e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 3.943654428792603e-03 | -8.447149230095263e-14 | -4.061129437545800e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 3.943654428805159e-03 | -7.191469642009451e-14 | -3.457437327889160e-01 | PASS |