Match comparison for Energy [step 0] (match type 30237)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
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 | -3.184216450128293e+02 | 2.474895892863086e-12 | -3.184216450128308e+02 | 5.087485988042317e-12 | PASS |
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Detailed information
Reference: -318.421645012831, precision: 0.0000000000065| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| spack_foss-2022a_ppc | -3.184216450128264e+02 | 4.604316927725449e-12 | 7.083564504192998e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184216450128284e+02 | 2.557953848736361e-12 | 3.935313613440555e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184216450128270e+02 | 4.035882739117369e-12 | 6.209050367872875e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.184216450128283e+02 | 2.728484105318785e-12 | 4.197667854336592e-01 | PASS |
| spack_foss-2022a_mpi | -3.184216450128287e+02 | 2.273736754432321e-12 | 3.498056545280493e-01 | PASS |
| spack_foss-2022a_serial | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2022a_serial_min | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2023a_mpi | -3.184216450128287e+02 | 2.273736754432321e-12 | 3.498056545280493e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.184216450128283e+02 | 2.728484105318785e-12 | 4.197667854336592e-01 | PASS |
| spack_foss-2023a_serial_min | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2023a_serial | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184216450128291e+02 | 1.932676241267473e-12 | 2.973348063488419e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.184216450128276e+02 | 3.353761712787673e-12 | 5.159633404288727e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| spack_foss-2023b_serial | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.184216450128280e+02 | 3.012701199622825e-12 | 4.634924922496653e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184216450128289e+02 | 2.103206497849897e-12 | 3.235702304384456e-01 | PASS |
| spack_intel-2023a_serial | -3.184216450128265e+02 | 4.490630090003833e-12 | 6.908661676928974e-01 | PASS |
| spack_intel-2023a_impi | -3.184216450128291e+02 | 1.875832822406664e-12 | 2.885896649856407e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184216450128292e+02 | 1.762145984685048e-12 | 2.710993822592382e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.184216450128296e+02 | 1.421085471520200e-12 | 2.186285340800308e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184216450128359e+02 | -4.945377440890297e-12 | -7.608272985985073e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184216450128258e+02 | 5.229594535194337e-12 | 8.045530054145135e-01 | PASS |