Match comparison for Energy [step 0] (match type 12071)
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
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 | -3.184210032772144e+02 | 4.995255203077321e-11 | -3.184210032771825e+02 | 6.158984433568548e-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-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 |
| spack_foss-2022a_ppc | -3.184210032772396e+02 | -5.718447937397286e-11 | -5.901391060265517e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184210032772401e+02 | -5.763922672485933e-11 | -5.948320611440592e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184210032772419e+02 | -5.945821612840518e-11 | -6.136038816140886e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184210032772436e+02 | -6.122036211309023e-11 | -6.317890826944297e-01 | PASS |
| spack_foss-2023a_serial_debug | -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_mpi | -3.184210032772432e+02 | -6.082245818106458e-11 | -6.276827469666107e-01 | PASS |
| spack_foss-2023a_mpi | -3.184210032772434e+02 | -6.099298843764700e-11 | -6.294426051356760e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184210032772382e+02 | -5.582023732131347e-11 | -5.760602406740296e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184210032772422e+02 | -5.979927664157003e-11 | -6.171235979522192e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.184210032772402e+02 | -5.775291356258094e-11 | -5.960052999234360e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184210032772410e+02 | -5.860556484549306e-11 | -6.048045907687623e-01 | PASS |
| spack_foss-2023a_serial_min | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-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 | -3.184210032772442e+02 | -6.173195288283750e-11 | -6.370686572016254e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184210032772414e+02 | -5.900346877751872e-11 | -6.089109264965812e-01 | PASS |