Match comparison for Benzene Multipoles [step 0] (match type 20345)
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
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 | 4.582980075662567e-15 | 5.492308614424495e-15 | 2.074420244117591e-15 | 1.000892964944544e-14 | PASS |
Checks for this match
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Detailed information
Reference: 0.0, precision: 0.0000000000000254| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -4.170285847873211e-15 | -4.170285847873211e-15 | -1.641844821997327e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -4.170285847873211e-15 | -4.170285847873211e-15 | -1.641844821997327e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 6.374606905141410e-15 | 6.374606905141410e-15 | 2.509687757929689e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 2.664141858654740e-16 | 2.664141858654740e-16 | 1.048874747501866e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| intel-serial: [intel2023a-serial] | -7.934509405327845e-15 | -7.934509405327845e-15 | -3.123822600522773e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| foss-ppc: [foss2022a-serial] | 2.608085468721185e-15 | 2.608085468721185e-15 | 1.026805302646136e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 9.686566873569099e-15 | 9.686566873569099e-15 | 3.813609005342165e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.366155950474227e-15 | 1.366155950474227e-15 | 5.378566734150501e-02 | PASS |
| intel-omp: [intel2023a-serial] | -2.373515157664166e-15 | -2.373515157664166e-15 | -9.344547864819551e-02 | PASS |
| intel-omp: [intel2022a-serial] | -2.373515157664166e-15 | -2.373515157664166e-15 | -9.344547864819551e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.366155950474227e-15 | 1.366155950474227e-15 | 5.378566734150501e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | 1.208334989356303e-14 | 1.208334989356303e-14 | 4.757224367544499e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.366155950474227e-15 | 1.366155950474227e-15 | 5.378566734150501e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.366155950474227e-15 | 1.366155950474227e-15 | 5.378566734150501e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 9.559551550530026e-15 | 9.559551550530026e-15 | 3.763602972649616e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 2.053981346479414e-15 | 2.053981346479414e-15 | 8.086540734170922e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 9.559551550530026e-15 | 9.559551550530026e-15 | 3.763602972649616e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 1.366155950474227e-15 | 1.366155950474227e-15 | 5.378566734150501e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 9.559551550530026e-15 | 9.559551550530026e-15 | 3.763602972649616e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 9.559551550530026e-15 | 9.559551550530026e-15 | 3.763602972649616e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.198745029123316e-16 | -1.198745029123316e-16 | -4.719468618595733e-03 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 2.996862572808291e-15 | 2.996862572808291e-15 | 1.179867154648933e-01 | PASS |