Match comparison for Energy [step 0] (match type 30237)
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184216450128310e+02 | 6.500000000000000e-12 | -3.184216450128290e+02 | 2.644147397534233e-12 | -3.184216450128287e+02 | 5.030642569181509e-12 | FAIL |
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Detailed information
Reference: -318.421645012831, precision: 0.0000000000065| Run | Value | Difference | Relative difference | Status |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.184216450128284e+02 | 2.614797267597169e-12 | 4.022765027072567e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.184216450128286e+02 | 2.387423592153937e-12 | 3.672959372544518e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.184216450128280e+02 | 3.012701199622825e-12 | 4.634924922496653e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.184216450128265e+02 | 4.490630090003833e-12 | 6.908661676928974e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.184216450128293e+02 | 1.648459146963432e-12 | 2.536090995328357e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.184216450128280e+02 | 3.012701199622825e-12 | 4.634924922496653e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.184216450128296e+02 | 1.421085471520200e-12 | 2.186285340800308e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.184216450128264e+02 | 4.604316927725449e-12 | 7.083564504192998e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.184216450128236e+02 | 7.389644451905042e-12 | 1.136868377216160e+00 | FAIL |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.184216450128236e+02 | 7.389644451905042e-12 | 1.136868377216160e+00 | FAIL |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.184216450128272e+02 | 3.751665644813329e-12 | 5.771793299712814e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.184216450128298e+02 | 1.193711796076968e-12 | 1.836479686272259e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.184216450128274e+02 | 3.581135388230905e-12 | 5.509439058816776e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.184216450128326e+02 | -1.591615728102624e-12 | -2.448639581696345e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.184216450128297e+02 | 1.307398633798584e-12 | 2.011382513536284e-01 | PASS |