Match comparison for Tot. Maxwell energy [step 300] (match type 20979)
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
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 |
| 1.401724560682090e-06 | 1.000000000000000e-19 | 1.401724560682105e-06 | 4.033950989510445e-20 | 1.401724560682089e-06 | 8.660911885675221e-20 | PASS |
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Detailed information
Reference: 0.00000140172456068209, precision: 0.0000000000000000001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 1.401724560682087e-06 | -3.388131789017201e-21 | -3.388131789017201e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 1.401724560682087e-06 | -3.388131789017201e-21 | -3.388131789017201e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 1.401724560682138e-06 | 4.785736151986797e-20 | 4.785736151986797e-01 | PASS |
| foss-ppc: [foss2022a-serial] | 1.401724560682136e-06 | 4.552802091491864e-20 | 4.552802091491864e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 1.401724560682109e-06 | 1.863472483959461e-20 | 1.863472483959461e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 1.401724560682081e-06 | -9.105604182983729e-21 | -9.105604182983729e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | 1.401724560682081e-06 | -9.105604182983729e-21 | -9.105604182983729e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 1.401724560682081e-06 | -9.105604182983729e-21 | -9.105604182983729e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 1.401724560682081e-06 | -9.105604182983729e-21 | -9.105604182983729e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.401724560682158e-06 | 6.755087754353045e-20 | 6.755087754353045e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 1.401724560682081e-06 | -9.105604182983729e-21 | -9.105604182983729e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.401724560682158e-06 | 6.755087754353045e-20 | 6.755087754353045e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.401724560682081e-06 | -9.105604182983729e-21 | -9.105604182983729e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.401724560682081e-06 | -9.105604182983729e-21 | -9.105604182983729e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 1.401724560682081e-06 | -9.105604182983729e-21 | -9.105604182983729e-02 | PASS |
| intel-serial: [intel2023a-serial] | 1.401724560682036e-06 | -5.357483391383450e-20 | -5.357483391383450e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.401724560682081e-06 | -9.105604182983729e-21 | -9.105604182983729e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | 1.401724560682176e-06 | 8.576208590949791e-20 | 8.576208590949791e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.401724560682076e-06 | -1.397604362969596e-20 | -1.397604362969596e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.401724560682113e-06 | 2.286988957586611e-20 | 2.286988957586611e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.401724560682113e-06 | 2.286988957586611e-20 | 2.286988957586611e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.401724560682113e-06 | 2.286988957586611e-20 | 2.286988957586611e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 1.401724560682113e-06 | 2.286988957586611e-20 | 2.286988957586611e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.401724560682113e-06 | 2.286988957586611e-20 | 2.286988957586611e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 1.401724560682166e-06 | 7.559769054244631e-20 | 7.559769054244631e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 1.401724560682166e-06 | 7.559769054244631e-20 | 7.559769054244631e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.401724560682166e-06 | 7.559769054244631e-20 | 7.559769054244631e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.401724560682166e-06 | 7.559769054244631e-20 | 7.559769054244631e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 1.401724560682083e-06 | -7.199780051661553e-21 | -7.199780051661553e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.401724560682003e-06 | -8.745615180400651e-20 | -8.745615180400651e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 1.401724560682087e-06 | -3.176373552203626e-21 | -3.176373552203626e-02 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 1.401724560682063e-06 | -2.689329607532404e-20 | -2.689329607532404e-01 | PASS |