Match comparison for Tot. Maxwell energy [step 300] (match type 30139)
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.401555572859941e-06 | 1.030000000000000e-19 | 1.401555572859908e-06 | 3.977436492509837e-20 | 1.401555572859883e-06 | 9.190307477709159e-20 | FAIL |
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Detailed information
Reference: 0.0000014015555728599411, precision: 0.000000000000000000103| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 1.401555572859929e-06 | -1.164670302474663e-20 | -1.130747866480255e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 1.401555572859931e-06 | -1.037615360386518e-20 | -1.007393553773318e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 1.401555572859939e-06 | -1.694065894508601e-21 | -1.644724169425826e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 1.401555572859880e-06 | -6.119813043912320e-20 | -5.941566062050796e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 1.401555572859880e-06 | -6.119813043912320e-20 | -5.941566062050796e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 1.401555572859880e-06 | -6.119813043912320e-20 | -5.941566062050796e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 1.401555572859880e-06 | -6.119813043912320e-20 | -5.941566062050796e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.401555572859880e-06 | -6.119813043912320e-20 | -5.941566062050796e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 1.401555572859880e-06 | -6.119813043912320e-20 | -5.941566062050796e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.401555572859880e-06 | -6.119813043912320e-20 | -5.941566062050796e-01 | PASS |
| intel-serial: [intel2023a-serial] | 1.401555572859948e-06 | 6.988021814847978e-21 | 6.784487198881532e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 1.401555572859880e-06 | -6.119813043912320e-20 | -5.941566062050796e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 1.401555572859890e-06 | -5.103373507207160e-20 | -4.954731560395301e-01 | PASS |
| foss-ppc: [foss2022a-serial] | 1.401555572859975e-06 | 3.409307612698559e-20 | 3.310007390969474e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.401555572859880e-06 | -6.119813043912320e-20 | -5.941566062050796e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.401555572859919e-06 | -2.181109839179823e-20 | -2.117582368135751e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.401555572859919e-06 | -2.181109839179823e-20 | -2.117582368135751e-01 | PASS |
| intel-omp: [intel2023a-serial] | 1.401555572859913e-06 | -2.858736196983264e-20 | -2.775472035906081e-01 | PASS |
| intel-omp: [intel2022a-serial] | 1.401555572859913e-06 | -2.858736196983264e-20 | -2.775472035906081e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 1.401555572859954e-06 | 1.291725244562808e-20 | 1.254102179187192e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.401555572859919e-06 | -2.181109839179823e-20 | -2.117582368135751e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.401555572859919e-06 | -2.181109839179823e-20 | -2.117582368135751e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.401555572859934e-06 | -6.988021814847978e-21 | -6.784487198881532e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.401555572859934e-06 | -6.988021814847978e-21 | -6.784487198881532e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 1.401555572859892e-06 | -4.870439446712227e-20 | -4.728581987099250e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.401555572859954e-06 | 1.249373597200093e-20 | 1.212984074951547e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 1.401555572859919e-06 | -2.181109839179823e-20 | -2.117582368135751e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 1.401555572859934e-06 | -6.988021814847978e-21 | -6.784487198881532e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 1.401555572859934e-06 | -6.988021814847978e-21 | -6.784487198881532e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 1.401555572859966e-06 | 2.477571370718828e-20 | 2.405409097785270e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.401555572859791e-06 | -1.497130734271976e-19 | -1.453524984730074e+00 | FAIL |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 1.401555572859806e-06 | -1.346782386134338e-19 | -1.307555714693531e+00 | FAIL |