Match comparison for Energy [step 0] (match type 12075)
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
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 | -3.184210032772144e+02 | 4.995255203077321e-11 | -3.184210032771825e+02 | 6.158984433568548e-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-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 |
| spack_foss-2022a_ppc | -3.184210032772396e+02 | 3.979039320256561e-13 | 2.502540452991548e-03 | PASS |
| spack_foss-2022a_cuda_serial | -3.184210032772401e+02 | -5.684341886080801e-14 | -3.575057789987925e-04 | PASS |
| spack_foss-2022a_mpi_min | -3.184210032772399e+02 | 5.684341886080801e-14 | 3.575057789987925e-04 | PASS |
| spack_foss-2023a_mpi_min | -3.184210032772399e+02 | 5.684341886080801e-14 | 3.575057789987925e-04 | PASS |
| cmake_foss_2022a_full_mpi | -3.184210032772419e+02 | -1.875832822406664e-12 | -1.179769070696015e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.184210032772436e+02 | -3.637978807091713e-12 | -2.288036985592272e-02 | PASS |
| spack_foss-2023a_serial_debug | -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_mpi | -3.184210032772432e+02 | -3.240074875066057e-12 | -2.037782940293117e-02 | PASS |
| spack_foss-2023a_mpi | -3.184210032772434e+02 | -3.410605131648481e-12 | -2.145034673992756e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.184210032772382e+02 | 1.762145984685048e-12 | 1.108267914896257e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.184210032772406e+02 | -6.252776074688882e-13 | -3.932563568986718e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184210032772422e+02 | -2.216893335571513e-12 | -1.394272538095291e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.184210032772402e+02 | -1.705302565824240e-13 | -1.072517336996378e-03 | PASS |
| spack_foss-2023a_mpi_omp | -3.184210032772410e+02 | -1.023181539494544e-12 | -6.435104021978266e-03 | PASS |
| spack_foss-2023a_serial_min | -3.184210032771210e+02 | 1.190301190945320e-10 | 7.486171012234716e-01 | 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 | -3.184210032772442e+02 | -4.149569576838985e-12 | -2.609792186691186e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.184210032772414e+02 | -1.421085471520200e-12 | -8.937644474969813e-03 | PASS |