Match comparison for Energy [step 0] (match type 30237)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184216450128310e+02 | 8.130000000000000e-12 | -3.184216450128287e+02 | 2.756759307199477e-12 | -3.184216450128287e+02 | 5.030642569181509e-12 | PASS |
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Detailed information
Reference: -318.421645012831, precision: 0.00000000000813| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.184216450128337e+02 | -2.671640686457977e-12 | -3.286150905852370e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.184216450128337e+02 | -2.671640686457977e-12 | -3.286150905852370e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 2.866642279573344e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 2.866642279573344e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 2.866642279573344e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.184216450128337e+02 | -2.671640686457977e-12 | -3.286150905852370e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 2.866642279573344e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 2.866642279573344e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 2.866642279573344e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.184216450128265e+02 | 4.490630090003833e-12 | 5.523530246007174e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.184216450128291e+02 | 1.932676241267473e-12 | 2.377215548914480e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.184216450128253e+02 | 5.741185304941610e-12 | 7.061728542363603e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.184216450128236e+02 | 7.389644451905042e-12 | 9.089353569378895e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.184216450128236e+02 | 7.389644451905042e-12 | 9.089353569378895e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.184216450128258e+02 | 5.229594535194337e-12 | 6.432465602945064e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.184216450128322e+02 | -1.193711796076968e-12 | -1.468280191976591e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.184216450128297e+02 | 1.307398633798584e-12 | 1.608116400736266e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.184216450128337e+02 | -2.671640686457977e-12 | -3.286150905852370e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.184216450128303e+02 | 7.389644451905042e-13 | 9.089353569378895e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.184216450128296e+02 | 1.421085471520200e-12 | 1.747952609495941e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.184216450128268e+02 | 4.206412995699793e-12 | 5.173939724107987e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.184216450128280e+02 | 3.012701199622825e-12 | 3.705659532131396e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 2.866642279573344e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.184216450128264e+02 | 4.604316927725449e-12 | 5.663366454766851e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.184216450128300e+02 | 9.663381206337363e-13 | 1.188607774457240e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.184216450128253e+02 | 5.741185304941610e-12 | 7.061728542363603e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.184216450128258e+02 | 5.229594535194337e-12 | 6.432465602945064e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.184216450128299e+02 | 1.080024958355352e-12 | 1.328443983216915e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.184216450128272e+02 | 3.808509063674137e-12 | 4.684512993449123e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.184216450128288e+02 | 2.216893335571513e-12 | 2.726806070813669e-01 | PASS |