Match comparison for Energy [step 0] (match type 30237)
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184216450128310e+02 | 1.570000000000000e-11 | -3.184216450128289e+02 | 2.305462512072878e-12 | -3.184216450128300e+02 | 4.291678123991005e-12 | PASS |
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Detailed information
Reference: -318.421645012831, precision: 0.0000000000157| Run | Value | Difference | Relative difference | Status |
| foss-ppc: [foss2022a-serial] | -3.184216450128264e+02 | 4.604316927725449e-12 | 2.932685941226401e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | -3.184216450128258e+02 | 5.172751116333529e-12 | 3.294745933970400e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | -3.184216450128302e+02 | 7.958078640513122e-13 | 5.068839898416001e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | -3.184216450128343e+02 | -3.353761712787673e-12 | -2.136153957189600e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | -3.184216450128284e+02 | 2.557953848736361e-12 | 1.629269967348000e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 1.484445970250400e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.184216450128280e+02 | 3.012701199622825e-12 | 1.918917961543200e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.184216450128296e+02 | 1.421085471520200e-12 | 9.051499818600002e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 1.484445970250400e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 1.484445970250400e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.184216450128337e+02 | -2.671640686457977e-12 | -1.701681965896800e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.184216450128326e+02 | -1.591615728102624e-12 | -1.013767979683200e-01 | PASS |
| intel-serial: [intel2023a-serial] | -3.184216450128265e+02 | 4.490630090003833e-12 | 2.860273942677600e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.184216450128337e+02 | -2.671640686457977e-12 | -1.701681965896800e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.184216450128283e+02 | 2.728484105318785e-12 | 1.737887965171200e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.184216450128285e+02 | 2.444267011014745e-12 | 1.556857968799200e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.184216450128282e+02 | 2.842170943040401e-12 | 1.810299963720000e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.184216450128298e+02 | 1.193711796076968e-12 | 7.603259847624001e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.184216450128291e+02 | 1.875832822406664e-12 | 1.194797976055200e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.184216450128268e+02 | 4.149569576838985e-12 | 2.643037947031200e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.184216450128268e+02 | 4.149569576838985e-12 | 2.643037947031200e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.184216450128268e+02 | 4.149569576838985e-12 | 2.643037947031200e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.184216450128287e+02 | 2.330580173293129e-12 | 1.484445970250400e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.184216450128287e+02 | 2.330580173293129e-12 | 1.484445970250400e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.184216450128258e+02 | 5.229594535194337e-12 | 3.330951933244801e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -3.184216450128287e+02 | 2.330580173293129e-12 | 1.484445970250400e-01 | PASS |