Match comparison for Energy [step 0] (match type 30237)
Commits >
Commit 65c9d1acfcf72851dda73eaed77edd797333194c >
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 | -3.184216450128297e+02 | 2.460228396175838e-12 | -3.184216450128299e+02 | 4.177991286269389e-12 | PASS |
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Detailed information
Reference: -318.421645012831, precision: 0.0000000000157| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.184216450128318e+02 | -8.526512829121202e-13 | -5.430899891160001e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.184216450128299e+02 | 1.080024958355352e-12 | 6.879139862136001e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.184216450128337e+02 | -2.671640686457977e-12 | -1.701681965896800e-01 | PASS |
| foss-serial-full: [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_autotools: [intel2023a-serial] | -3.184216450128265e+02 | 4.490630090003833e-12 | 2.860273942677600e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -3.184216450128264e+02 | 4.604316927725449e-12 | 2.932685941226401e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.184216450128280e+02 | 3.012701199622825e-12 | 1.918917961543200e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.184216450128283e+02 | 2.728484105318785e-12 | 1.737887965171200e-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_cmake: [foss2023a-mpi, foss-full-mpi] | -3.184216450128341e+02 | -3.126388037344441e-12 | -1.991329960092000e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.184216450128297e+02 | 1.250555214937776e-12 | 7.965319840368001e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.184216450128337e+02 | -2.671640686457977e-12 | -1.701681965896800e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.184216450128285e+02 | 2.444267011014745e-12 | 1.556857968799200e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.184216450128272e+02 | 3.808509063674137e-12 | 2.425801951384800e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.184216450128322e+02 | -1.193711796076968e-12 | -7.603259847624001e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.184216450128281e+02 | 2.899014361901209e-12 | 1.846505962994400e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.184216450128296e+02 | 1.421085471520200e-12 | 9.051499818600002e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.184216450128258e+02 | 5.229594535194337e-12 | 3.330951933244801e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.184216450128304e+02 | 6.252776074688882e-13 | 3.982659920184001e-02 | PASS |