Match comparison for Tot. Maxwell energy [step 300] (match type 25757)
Commits >
Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.401398408996486e-06 | 1.000000000000000e-12 | 1.401398408996527e-06 | 4.121790553433387e-20 | 1.401398408996532e-06 | 6.797439401715760e-20 | PASS |
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Detailed information
Reference: 0.0000014013984089964862, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| spack_foss-2023a_serial_min | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| spack_foss-2023a_serial | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| spack_foss-2022a_serial | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| spack_foss-2023a_serial_opt | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| spack_foss-2023b_serial | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| spack_foss-2022a_ppc | 1.401398408996582e-06 | 9.613823951336309e-20 | 9.613823951336309e-08 | PASS |
| spack_foss-2022a_mpi_min | 1.401398408996464e-06 | -2.202285662861181e-20 | -2.202285662861181e-08 | PASS |
| spack_foss-2023a_mpi_min | 1.401398408996464e-06 | -2.202285662861181e-20 | -2.202285662861181e-08 | PASS |
| spack_foss-2023a_serial_omp | 1.401398408996537e-06 | 5.103373507207160e-20 | 5.103373507207160e-08 | PASS |
| spack_foss-2023a_serial_debug | 1.401398408996545e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| spack_foss-2023a_mpi_opt | 1.401398408996464e-06 | -2.202285662861181e-20 | -2.202285662861181e-08 | PASS |
| spack_foss-2022a_mpi | 1.401398408996464e-06 | -2.202285662861181e-20 | -2.202285662861181e-08 | PASS |
| spack_foss-2023a_mpi | 1.401398408996464e-06 | -2.202285662861181e-20 | -2.202285662861181e-08 | PASS |
| spack_foss-2022a_cuda_serial | 1.401398408996550e-06 | 6.416274575451325e-20 | 6.416274575451325e-08 | PASS |
| spack_foss-2023a_mpi_debug | 1.401398408996464e-06 | -2.202285662861181e-20 | -2.202285662861181e-08 | PASS |
| spack_foss-2023a_mpi_omp | 1.401398408996600e-06 | 1.139259314057034e-19 | 1.139259314057034e-07 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.401398408996539e-06 | 5.315131744020735e-20 | 5.315131744020735e-08 | PASS |
| spack_intel-2023a_serial | 1.401398408996576e-06 | 8.957373417214226e-20 | 8.957373417214226e-08 | PASS |
| spack_intel-2022a_serial_omp | 1.401398408996525e-06 | 3.832824086325709e-20 | 3.832824086325709e-08 | PASS |
| spack_intel-2023a_serial_omp | 1.401398408996525e-06 | 3.832824086325709e-20 | 3.832824086325709e-08 | PASS |
| spack_intel-2022a_impi_omp | 1.401398408996566e-06 | 7.962109704190423e-20 | 7.962109704190423e-08 | PASS |
| spack_intel-2023a_impi | 1.401398408996528e-06 | 4.171637265227429e-20 | 4.171637265227429e-08 | PASS |