Match comparison for Energy [step 0] (match type 12071)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184210032771824e+02 | 9.690000000000000e-11 | -3.184210032772140e+02 | 4.972061302805980e-11 | -3.184210032771831e+02 | 6.215827852429356e-11 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -318.4210032771824, precision: 0.0000000000969| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_foss-2023a_serial_min | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_foss-2022a_serial | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_foss-2023a_serial | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| spack_foss-2022a_ppc | -3.184210032772396e+02 | -5.718447937397286e-11 | -5.901391060265517e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184210032772417e+02 | -5.923084245296195e-11 | -6.112574040553349e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184210032772389e+02 | -5.644551492878236e-11 | -5.825130539606023e-01 | PASS |
| spack_foss-2022a_mpi | -3.184210032772386e+02 | -5.616129783447832e-11 | -5.795799570121601e-01 | PASS |
| spack_foss-2023a_mpi | -3.184210032772391e+02 | -5.667288860422559e-11 | -5.848595315193560e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184210032772401e+02 | -5.763922672485933e-11 | -5.948320611440592e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184210032772453e+02 | -6.286882126005366e-11 | -6.488010449953939e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.184210032772409e+02 | -5.843503458891064e-11 | -6.030447325996970e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184210032772430e+02 | -6.059508450562134e-11 | -6.253362694078570e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184210032772402e+02 | -5.775291356258094e-11 | -5.960052999234360e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| spack_foss-2023b_serial | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.184210032772386e+02 | -5.616129783447832e-11 | -5.795799570121601e-01 | PASS |
| spack_intel-2023a_serial | -3.184210032772428e+02 | -6.042455424903892e-11 | -6.235764112387918e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.184210032772404e+02 | -5.798028723802418e-11 | -5.983517774821897e-01 | PASS |
| spack_intel-2023a_impi | -3.184210032772397e+02 | -5.724132279283367e-11 | -5.907257254162401e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184210032772406e+02 | -5.815081749460660e-11 | -6.001116356512549e-01 | PASS |