Match comparison for Benzene Multipoles [step 0] (match type 24559)
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 1.000000000000000e-10 | -9.185801257779366e-16 | 6.699401176088718e-15 | -5.993725145616588e-17 | 1.267073495783345e-14 | PASS |
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Detailed information
Reference: 0.0, precision: 0.0000000001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -2.554176189479990e-15 | -2.554176189479990e-15 | -2.554176189479989e-05 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.554176189479990e-15 | -2.554176189479990e-15 | -2.554176189479989e-05 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 8.365705993703874e-15 | 8.365705993703874e-15 | 8.365705993703873e-05 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -8.531131508890765e-15 | -8.531131508890765e-15 | -8.531131508890764e-05 | PASS |
| foss-serial-min: [foss2023b-serial] | -8.531131508890765e-15 | -8.531131508890765e-15 | -8.531131508890764e-05 | PASS |
| foss-serial-min: [foss2022a-serial] | -8.531131508890765e-15 | -8.531131508890765e-15 | -8.531131508890764e-05 | PASS |
| foss-serial-min: [foss2023a-serial] | -8.531131508890765e-15 | -8.531131508890765e-15 | -8.531131508890764e-05 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -8.531131508890765e-15 | -8.531131508890765e-15 | -8.531131508890764e-05 | PASS |
| foss-serial-full: [foss2023a-serial] | -8.531131508890765e-15 | -8.531131508890765e-15 | -8.531131508890764e-05 | PASS |
| foss-opt-full: [foss2023a-serial] | -8.531131508890765e-15 | -8.531131508890765e-15 | -8.531131508890764e-05 | PASS |
| intel-serial: [intel2023a-serial] | -3.020217336424548e-16 | -3.020217336424548e-16 | -3.020217336424548e-06 | PASS |
| foss-serial-full: [foss2023b-serial] | -8.531131508890765e-15 | -8.531131508890765e-15 | -8.531131508890764e-05 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 5.514944466132629e-15 | 5.514944466132629e-15 | 5.514944466132628e-05 | PASS |
| foss-ppc: [foss2022a-serial] | 2.481114962464113e-15 | 2.481114962464113e-15 | 2.481114962464113e-05 | PASS |
| foss-serial-debug: [foss2023a-serial] | -8.531131508890765e-15 | -8.531131508890765e-15 | -8.531131508890764e-05 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 4.224260340233679e-15 | 4.224260340233679e-15 | 4.224260340233679e-05 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 4.224260340233679e-15 | 4.224260340233679e-15 | 4.224260340233679e-05 | PASS |
| intel-omp: [intel2023a-serial] | -5.730001239209451e-15 | -5.730001239209451e-15 | -5.730001239209451e-05 | PASS |
| intel-omp: [intel2022a-serial] | -5.730001239209451e-15 | -5.730001239209451e-15 | -5.730001239209451e-05 | PASS |
| foss-omp-full: [foss2023a-serial] | 1.261079770637729e-14 | 1.261079770637729e-14 | 1.261079770637729e-04 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 4.224260340233679e-15 | 4.224260340233679e-15 | 4.224260340233679e-05 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 4.224260340233679e-15 | 4.224260340233679e-15 | 4.224260340233679e-05 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 3.575889770950908e-15 | 3.575889770950908e-15 | 3.575889770950908e-05 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 3.575889770950908e-15 | 3.575889770950908e-15 | 3.575889770950908e-05 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.846108382600597e-15 | -1.846108382600597e-15 | -1.846108382600597e-05 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 3.790496965769481e-15 | 3.790496965769481e-15 | 3.790496965769481e-05 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 4.224260340233679e-15 | 4.224260340233679e-15 | 4.224260340233679e-05 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 3.575889770950908e-15 | 3.575889770950908e-15 | 3.575889770950908e-05 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 3.575889770950908e-15 | 3.575889770950908e-15 | 3.575889770950908e-05 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 1.191552558948576e-14 | 1.191552558948576e-14 | 1.191552558948576e-04 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.273067220928962e-14 | -1.273067220928962e-14 | -1.273067220928962e-04 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -1.270669730870715e-15 | -1.270669730870715e-15 | -1.270669730870715e-05 | PASS |