Match comparison for Benzene Multipoles [step 0] (match type 20345)
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 2.540000000000000e-14 | -2.019387024834018e-15 | 9.050718404284297e-15 | -2.661213964653762e-15 | 1.522406186986611e-14 | PASS |
Checks for this match
-
Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.0, precision: 0.0000000000000254| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -4.170285847873211e-15 | -4.170285847873211e-15 | -1.641844821997327e-01 | PASS |
| intel-serial: [intel2023a-serial] | -7.367002962471359e-15 | -7.367002962471359e-15 | -2.900394867114708e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -1.555971047802064e-14 | -1.555971047802064e-14 | -6.125870266937261e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -1.555971047802064e-14 | -1.555971047802064e-14 | -6.125870266937261e-01 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -9.110462221337204e-16 | -9.110462221337204e-16 | -3.586796150132757e-02 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -2.829038268731026e-15 | -2.829038268731026e-15 | -1.113794593988593e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -1.198745029123316e-16 | -1.198745029123316e-16 | -4.719468618595733e-03 | PASS |
| foss-serial: [foss2023a-serial] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -1.198745029123316e-16 | -1.198745029123316e-16 | -4.719468618595733e-03 | PASS |
| ppc: [foss2023a-serial] | 2.608085468721185e-15 | 2.608085468721185e-15 | 1.026805302646136e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 2.815535186094625e-15 | 2.815535186094625e-15 | 1.108478419722293e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -1.788527583451988e-14 | -1.788527583451988e-14 | -7.041447178944833e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | -7.367002962471359e-15 | -7.367002962471359e-15 | -2.900394867114708e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -1.198745029123316e-16 | -1.198745029123316e-16 | -4.719468618595733e-03 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 9.278286525414467e-15 | 9.278286525414467e-15 | 3.652868710793097e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -1.555971047802064e-14 | -1.555971047802064e-14 | -6.125870266937261e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 2.562164736572313e-15 | 2.562164736572313e-15 | 1.008726274241068e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 1.256284790521235e-14 | 1.256284790521235e-14 | 4.946003112288328e-01 | PASS |