Match comparison for Energy [step 0] (match type 12075)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Input 14-fullerene_unpacked.03-td-packed.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184210032772400e+02 | 1.590000000000000e-10 | -3.184210032772140e+02 | 4.972061302805980e-11 | -3.184210032771831e+02 | 6.215827852429356e-11 | PASS |
Checks for this match
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Detailed information
Reference: -318.42100327724, precision: 0.000000000159| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.184210032771210e+02 | 1.190301190945320e-10 | 7.486171012234716e-01 | PASS |
| spack_foss-2023a_serial_min | -3.184210032771210e+02 | 1.190301190945320e-10 | 7.486171012234716e-01 | PASS |
| spack_foss-2022a_serial | -3.184210032771210e+02 | 1.190301190945320e-10 | 7.486171012234716e-01 | PASS |
| spack_foss-2023a_serial | -3.184210032771210e+02 | 1.190301190945320e-10 | 7.486171012234716e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184210032772406e+02 | -6.252776074688882e-13 | -3.932563568986718e-03 | PASS |
| spack_foss-2022a_ppc | -3.184210032772396e+02 | 3.979039320256561e-13 | 2.502540452991548e-03 | PASS |
| spack_foss-2023a_mpi_min | -3.184210032772399e+02 | 5.684341886080801e-14 | 3.575057789987925e-04 | PASS |
| spack_foss-2022a_mpi_min | -3.184210032772399e+02 | 5.684341886080801e-14 | 3.575057789987925e-04 | PASS |
| cmake_foss_2022a_full_mpi | -3.184210032772417e+02 | -1.648459146963432e-12 | -1.036766759096498e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.184210032771210e+02 | 1.190301190945320e-10 | 7.486171012234716e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184210032772389e+02 | 1.136868377216160e-12 | 7.150115579975851e-03 | PASS |
| spack_foss-2022a_mpi | -3.184210032772386e+02 | 1.421085471520200e-12 | 8.937644474969813e-03 | PASS |
| spack_foss-2023a_mpi | -3.184210032772391e+02 | 9.094947017729282e-13 | 5.720092463980681e-03 | PASS |
| spack_foss-2022a_cuda_serial | -3.184210032772401e+02 | -5.684341886080801e-14 | -3.575057789987925e-04 | PASS |
| cmake_foss_2022a_min_mpi | -3.184210032772453e+02 | -5.286437954055145e-12 | -3.324803744688771e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.184210032772409e+02 | -8.526512829121202e-13 | -5.362586684981889e-03 | PASS |
| spack_foss-2023a_mpi_omp | -3.184210032772430e+02 | -3.012701199622825e-12 | -1.894780628693601e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184210032772402e+02 | -1.705302565824240e-13 | -1.072517336996378e-03 | PASS |
| cmake_foss_2022a_min_serial | -3.184210032772406e+02 | -6.252776074688882e-13 | -3.932563568986718e-03 | PASS |
| spack_foss-2023a_serial_opt | -3.184210032772406e+02 | -6.252776074688882e-13 | -3.932563568986718e-03 | PASS |
| spack_foss-2023b_serial | -3.184210032771210e+02 | 1.190301190945320e-10 | 7.486171012234716e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.184210032772386e+02 | 1.421085471520200e-12 | 8.937644474969813e-03 | PASS |
| spack_intel-2023a_serial | -3.184210032772428e+02 | -2.842170943040401e-12 | -1.787528894993963e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.184210032772399e+02 | 5.684341886080801e-14 | 3.575057789987925e-04 | PASS |
| spack_intel-2023a_serial_omp | -3.184210032772404e+02 | -3.979039320256561e-13 | -2.502540452991548e-03 | PASS |
| spack_intel-2023a_impi | -3.184210032772397e+02 | 3.410605131648481e-13 | 2.145034673992755e-03 | PASS |
| spack_intel-2022a_impi_omp | -3.184210032772406e+02 | -5.684341886080801e-13 | -3.575057789987926e-03 | PASS |