Match comparison for Benzene Energy [step 20] (match type 20284)
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 |
| -3.744565857691556e+01 | 3.740000000000000e-13 | -3.744565857691548e+01 | 9.186530337431202e-14 | -3.744565857691553e+01 | 1.989519660128281e-13 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -37.445658576915555, precision: 0.000000000000374| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| intel-serial: [intel2023a-serial] | -3.744565857691573e+01 | -1.776356839400250e-13 | -4.749617217647728e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -3.744565857691558e+01 | -2.131628207280301e-14 | -5.699540661177274e-02 | PASS |
| intel-omp: [intel2023a-serial] | -3.744565857691561e+01 | -5.684341886080801e-14 | -1.519877509647273e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744565857691545e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |
| intel-omp: [intel2022a-serial] | -3.744565857691561e+01 | -5.684341886080801e-14 | -1.519877509647273e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744565857691545e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.744565857691545e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744565857691537e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.744565857691545e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744565857691546e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744565857691546e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.744565857691546e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744565857691571e+01 | -1.563194018672220e-13 | -4.179663151530001e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.744565857691545e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.744565857691535e+01 | 2.060573933704291e-13 | 5.509555972471365e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.744565857691546e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.744565857691538e+01 | 1.705302565824240e-13 | 4.559632528941819e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744565857691565e+01 | -9.237055564881302e-14 | -2.469800953176819e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -3.744565857691533e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |