Match comparison for Benzene Energy [step 20] (match type 30136)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565861329850e+01 | 1.870000000000000e-12 | -3.744565861329853e+01 | 9.599780349698575e-14 | -3.744565861329853e+01 | 1.669775429036235e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -37.4456586132985, precision: 0.00000000000187| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -3.744565861329862e+01 | -1.207922650792170e-13 | -6.459479416000911e-02 | PASS |
| foss-serial: [foss2023a-serial] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.744565861329865e+01 | -1.492139745096210e-13 | -7.979356925648184e-02 | PASS |
| ppc: [foss2023a-serial] | -3.744565861329865e+01 | -1.492139745096210e-13 | -7.979356925648184e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.744565861329849e+01 | 7.105427357601002e-15 | 3.799693774118183e-03 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.744565861329849e+01 | 7.105427357601002e-15 | 3.799693774118183e-03 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.744565861329865e+01 | -1.492139745096210e-13 | -7.979356925648184e-02 | PASS |
| foss-parallel: [foss2023a-mpi] | -3.744565861329849e+01 | 7.105427357601002e-15 | 3.799693774118183e-03 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.744565861329851e+01 | -7.105427357601002e-15 | -3.799693774118183e-03 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.744565861329870e+01 | -2.060573933704291e-13 | -1.101911194494273e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.744565861329847e+01 | 2.842170943040401e-14 | 1.519877509647273e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.744565861329837e+01 | 1.278976924368180e-13 | 6.839448793412729e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -3.744565861329838e+01 | 1.136868377216160e-13 | 6.079510038589093e-02 | PASS |