Match comparison for Tot. Maxwell energy [step 300] (match type 20973)
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.401527129922635e-06 | 6.000000000000000e-11 | 1.401532253100686e-06 | 3.923292835074195e-20 | 1.401532253100680e-06 | 9.857345923671920e-20 | PASS |
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Detailed information
Reference: 0.0000014015271299226352, precision: 0.00000000006| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 1.401532253100682e-06 | 5.123178047015592e-12 | 8.538630078359320e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 1.401532253100682e-06 | 5.123178047015592e-12 | 8.538630078359320e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 1.401532253100719e-06 | 5.123178084073284e-12 | 8.538630140122140e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 1.401532253100697e-06 | 5.123178062262185e-12 | 8.538630103770309e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | 1.401532253100668e-06 | 5.123178032616032e-12 | 8.538630054360054e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | 1.401532253100668e-06 | 5.123178032616032e-12 | 8.538630054360054e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 1.401532253100668e-06 | 5.123178032616032e-12 | 8.538630054360054e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.401532253100668e-06 | 5.123178032616032e-12 | 8.538630054360054e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 1.401532253100668e-06 | 5.123178032616032e-12 | 8.538630054360054e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | 1.401532253100668e-06 | 5.123178032616032e-12 | 8.538630054360054e-02 | PASS |
| intel-serial: [intel2023a-serial] | 1.401532253100627e-06 | 5.123177991534934e-12 | 8.538629985891558e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.401532253100668e-06 | 5.123178032616032e-12 | 8.538630054360054e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 1.401532253100668e-06 | 5.123178032616032e-12 | 8.538630054360054e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.401532253100668e-06 | 5.123178032616032e-12 | 8.538630054360054e-02 | PASS |
| foss-ppc: [foss2022a-serial] | 1.401532253100711e-06 | 5.123178076026471e-12 | 8.538630126710785e-02 | PASS |
| intel-omp: [intel2023a-serial] | 1.401532253100739e-06 | 5.123178103978558e-12 | 8.538630173297597e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.401532253100689e-06 | 5.123178053791856e-12 | 8.538630089653093e-02 | PASS |
| intel-omp: [intel2022a-serial] | 1.401532253100739e-06 | 5.123178103978558e-12 | 8.538630173297597e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.401532253100689e-06 | 5.123178053791856e-12 | 8.538630089653093e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.401532253100689e-06 | 5.123178053791856e-12 | 8.538630089653093e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | 1.401532253100778e-06 | 5.123178142942073e-12 | 8.538630238236790e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.401532253100689e-06 | 5.123178053791856e-12 | 8.538630089653093e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.401532253100736e-06 | 5.123178100378668e-12 | 8.538630167297780e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.401532253100736e-06 | 5.123178100378668e-12 | 8.538630167297780e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 1.401532253100736e-06 | 5.123178100378668e-12 | 8.538630167297780e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.401532253100620e-06 | 5.123177985182187e-12 | 8.538629975303645e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 1.401532253100689e-06 | 5.123178053791856e-12 | 8.538630089653093e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 1.401532253100661e-06 | 5.123178025416252e-12 | 8.538630042360421e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 1.401532253100736e-06 | 5.123178100378668e-12 | 8.538630167297780e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 1.401532253100660e-06 | 5.123178024780977e-12 | 8.538630041301629e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.401532253100581e-06 | 5.123177945795155e-12 | 8.538629909658592e-02 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 1.401532253100672e-06 | 5.123178036851197e-12 | 8.538630061418662e-02 | PASS |