Match comparison for Energy [step 0] (match type 12071)
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
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 | -3.184210032772141e+02 | 4.980530029826292e-11 | -3.184210032771825e+02 | 6.158984433568548e-11 | PASS |
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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-2023a_serial_opt | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| spack_foss-2023a_serial | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_foss-2023b_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-2023a_mpi_min | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.184210032772386e+02 | -5.616129783447832e-11 | -5.795799570121601e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184210032772413e+02 | -5.888978193979710e-11 | -6.077376877172044e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184210032772397e+02 | -5.729816621169448e-11 | -5.913123448059286e-01 | PASS |
| spack_foss-2023a_mpi | -3.184210032772414e+02 | -5.894662535865791e-11 | -6.083243071068928e-01 | PASS |
| spack_intel-2023a_impi | -3.184210032772442e+02 | -6.173195288283750e-11 | -6.370686572016254e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.184210032772418e+02 | -5.940137270954438e-11 | -6.130172622244002e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184210032772412e+02 | -5.877609510207549e-11 | -6.065644489378276e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184210032772419e+02 | -5.945821612840518e-11 | -6.136038816140886e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184210032772390e+02 | -5.661604518536478e-11 | -5.842729121296676e-01 | PASS |
| spack_foss-2022a_serial | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184210032772400e+02 | -5.758238330599852e-11 | -5.942454417543707e-01 | PASS |
| spack_intel-2023a_serial | -3.184210032772428e+02 | -6.042455424903892e-11 | -6.235764112387918e-01 | PASS |
| spack_foss-2022a_mpi | -3.184210032772419e+02 | -5.945821612840518e-11 | -6.136038816140886e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.184210032772404e+02 | -5.798028723802418e-11 | -5.983517774821897e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184210032772401e+02 | -5.763922672485933e-11 | -5.948320611440592e-01 | PASS |