Match comparison for Tot. Maxwell energy [step 300] (match type 30139)
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
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 | 1.401555572859941e-06 | 3.807859297897148e-20 | 1.401555572859937e-06 | 9.603236039495630e-20 | PASS |
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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] | 1.401555572859932e-06 | -9.105604182983729e-21 | -8.840392410663814e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 1.401555572859932e-06 | -8.893845946170154e-21 | -8.634801889485585e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 1.401555572859971e-06 | 2.943439491708694e-20 | 2.857708244377373e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 1.401555572859956e-06 | 1.439956010332311e-20 | 1.398015544011952e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 1.401555572859925e-06 | -1.651714247145886e-20 | -1.603606065190180e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 1.401555572859925e-06 | -1.651714247145886e-20 | -1.603606065190180e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 1.401555572859925e-06 | -1.651714247145886e-20 | -1.603606065190180e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.401555572859925e-06 | -1.651714247145886e-20 | -1.603606065190180e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 1.401555572859925e-06 | -1.651714247145886e-20 | -1.603606065190180e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 1.401555572859925e-06 | -1.651714247145886e-20 | -1.603606065190180e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 1.401555572859925e-06 | -1.651714247145886e-20 | -1.603606065190180e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 1.401555572859882e-06 | -5.865703159736030e-20 | -5.694857436636922e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 1.401555572859925e-06 | -1.651714247145886e-20 | -1.603606065190180e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.401555572859925e-06 | -1.651714247145886e-20 | -1.603606065190180e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.401555572859937e-06 | -4.446922973085077e-21 | -4.317400944742793e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.401555572859925e-06 | -1.651714247145886e-20 | -1.603606065190180e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.401555572860001e-06 | 5.971582278142817e-20 | 5.797652697226037e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.401555572860001e-06 | 5.971582278142817e-20 | 5.797652697226037e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 1.401555572860033e-06 | 9.211483301390516e-20 | 8.943187671252928e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.401555572859937e-06 | -4.446922973085077e-21 | -4.317400944742793e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 1.401555572859937e-06 | -4.446922973085077e-21 | -4.317400944742793e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 1.401555572859937e-06 | -4.446922973085077e-21 | -4.317400944742793e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 1.401555572859937e-06 | -4.446922973085077e-21 | -4.317400944742793e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 1.401555572859969e-06 | 2.816384549620549e-20 | 2.734353931670436e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.401555572859989e-06 | 4.764560328305439e-20 | 4.625786726510135e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.401555572859989e-06 | 4.764560328305439e-20 | 4.625786726510135e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 1.401555572859989e-06 | 4.764560328305439e-20 | 4.625786726510135e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.401555572859869e-06 | -7.178604227980195e-20 | -6.969518667941937e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 1.401555572859989e-06 | 4.764560328305439e-20 | 4.625786726510135e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 1.401555572859937e-06 | -4.446922973085077e-21 | -4.317400944742793e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.401555572859919e-06 | -2.223461486542538e-20 | -2.158700472371397e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.401555572859841e-06 | -9.994988777600744e-20 | -9.703872599612373e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.401555572859924e-06 | -1.715241718189958e-20 | -1.665283221543649e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.401555572859922e-06 | -1.926999955003533e-20 | -1.870873742721877e-01 | PASS |