Match comparison for Energy [step 0] (match type 12075)
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
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 | -3.184210032772281e+02 | 3.641371903916243e-11 | -3.184210032771816e+02 | 6.062350621505175e-11 | PASS |
Checks for this match
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Detailed information
Reference: -318.42100327724, precision: 0.000000000159| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.184210032772386e+02 | 1.364242052659392e-12 | 8.580138695971021e-03 | PASS |
| spack_foss-2022a_serial_opt | -3.184210032772406e+02 | -6.252776074688882e-13 | -3.932563568986718e-03 | PASS |
| 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 |
| foss-2022a_opt | -3.184210032772392e+02 | 8.526512829121202e-13 | 5.362586684981889e-03 | PASS |
| intel-2022b | -3.184210032772422e+02 | -2.216893335571513e-12 | -1.394272538095291e-02 | PASS |
| intel-2022a | -3.184210032772422e+02 | -2.216893335571513e-12 | -1.394272538095291e-02 | PASS |
| spack_foss-2022a_serial_omp | -3.184210032772395e+02 | 4.547473508864641e-13 | 2.860046231990340e-03 | PASS |
| spack_foss-2022a_serial_debug | -3.184210032771210e+02 | 1.190301190945320e-10 | 7.486171012234716e-01 | PASS |
| foss-2022a_omp | -3.184210032772388e+02 | 1.250555214937776e-12 | 7.865127137973436e-03 | PASS |
| spack_foss-2022a_mpi | -3.184210032772415e+02 | -1.534772309241816e-12 | -9.652656032967399e-03 | PASS |
| intel-2022a_omp | -3.184210032772399e+02 | 5.684341886080801e-14 | 3.575057789987925e-04 | PASS |
| intel-2022a_impi | -3.184210032772374e+02 | 2.557953848736361e-12 | 1.608776005494567e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.184210032772415e+02 | -1.534772309241816e-12 | -9.652656032967399e-03 | PASS |
| spack_foss-2022a_mpi_omp | -3.184210032772398e+02 | 1.705302565824240e-13 | 1.072517336996378e-03 | PASS |
| eb_fosscuda-2022a | -3.184210032772411e+02 | -1.136868377216160e-12 | -7.150115579975851e-03 | PASS |
| cmake_foss_2022a_full_serial | -3.184210032772406e+02 | -6.252776074688882e-13 | -3.932563568986718e-03 | PASS |
| cmake_foss_2022a_min_serial | -3.184210032772406e+02 | -6.252776074688882e-13 | -3.932563568986718e-03 | PASS |
| foss-2022a_mpi_omp | -3.184210032772405e+02 | -4.547473508864641e-13 | -2.860046231990340e-03 | PASS |
| cmake_foss_2022a_min_mpi | -3.184210032772411e+02 | -1.080024958355352e-12 | -6.792609800977059e-03 | PASS |
| eb_foss-2022a | -3.184210032772407e+02 | -7.389644451905042e-13 | -4.647575126984303e-03 | PASS |
| eb_foss-2022b_libxc6 | -3.184210032772412e+02 | -1.193711796076968e-12 | -7.507621358974644e-03 | PASS |
| intel-2022a_omp_impi | -3.184210032772374e+02 | 2.557953848736361e-12 | 1.608776005494567e-02 | PASS |
| eb_foss-2022a_debug | -3.184210032772407e+02 | -7.389644451905042e-13 | -4.647575126984303e-03 | PASS |
| eb_foss-2022a_mpi | -3.184210032772414e+02 | -1.421085471520200e-12 | -8.937644474969813e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.184210032772418e+02 | -1.818989403545856e-12 | -1.144018492796136e-02 | PASS |
| eb_foss-2022a_mpi_debug | -3.184210032772414e+02 | -1.421085471520200e-12 | -8.937644474969813e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.184210032772412e+02 | -1.193711796076968e-12 | -7.507621358974644e-03 | PASS |
| intel-2022b_impi | -3.184210032772410e+02 | -9.663381206337363e-13 | -6.077598242979473e-03 | PASS |