Match comparison for Energy [step 0] (match type 12071)
Commits >
Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 >
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 | -3.184210032772142e+02 | 4.984667527367260e-11 | -3.184210032771826e+02 | 6.170353117340710e-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_ppc | -3.184210032772396e+02 | -5.718447937397286e-11 | -5.901391060265517e-01 | PASS |
| spack_foss-2022a_mpi | -3.184210032772410e+02 | -5.854872142663226e-11 | -6.042179713790738e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184210032772407e+02 | -5.832134775118902e-11 | -6.018714938203202e-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 | -3.184210032772394e+02 | -5.701394911739044e-11 | -5.883792478574865e-01 | PASS |
| spack_foss-2022a_serial | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_foss-2022a_serial_min | -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_foss-2023a_mpi_min | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184210032772415e+02 | -5.911715561524034e-11 | -6.100841652759581e-01 | PASS |
| spack_foss-2023a_mpi | -3.184210032772444e+02 | -6.195932655828074e-11 | -6.394151347603791e-01 | PASS |
| spack_foss-2023a_serial | -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_mpi_debug | -3.184210032772412e+02 | -5.877609510207549e-11 | -6.065644489378276e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184210032772401e+02 | -5.763922672485933e-11 | -5.948320611440592e-01 | PASS |
| spack_foss-2023a_serial_debug | -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-2022a_cuda_serial | -3.184210032772401e+02 | -5.763922672485933e-11 | -5.948320611440592e-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 | -3.184210032772409e+02 | -5.843503458891064e-11 | -6.030447325996970e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184210032772426e+02 | -6.014033715473488e-11 | -6.206433142903497e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184210032772427e+02 | -6.025402399245650e-11 | -6.218165530697265e-01 | PASS |