Match comparison for Number of excited electrons [step 100] (match type 28546)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Input 14-silicon_shifts.03-td_parstates.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
6.185219895782357e-05 | 3.230000000000000e-09 | 6.185402741689702e-05 | 3.056259395751058e-10 | 6.185445265033396e-05 | 6.659424678367998e-10 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.00006185219895782357, precision: 0.00000000323Run | Value | Difference | Relative difference | Status |
spack_foss-2022a_serial_min | 6.185387531210118e-05 | 1.676354277613257e-09 | 5.189951323880052e-01 | PASS |
spack_foss-2023a_serial_opt | 6.185387531210118e-05 | 1.676354277613257e-09 | 5.189951323880052e-01 | PASS |
spack_foss-2023a_serial | 6.185387531210118e-05 | 1.676354277613257e-09 | 5.189951323880052e-01 | PASS |
spack_foss-2023a_serial_min | 6.185387531210118e-05 | 1.676354277613257e-09 | 5.189951323880052e-01 | PASS |
spack_foss-2023b_serial | 6.185387531210118e-05 | 1.676354277613257e-09 | 5.189951323880052e-01 | PASS |
spack_foss-2022a_serial | 6.185387531210118e-05 | 1.676354277613257e-09 | 5.189951323880052e-01 | PASS |
spack_foss-2022a_mpi_min | 6.185400605002167e-05 | 1.807092198102822e-09 | 5.594712687624837e-01 | PASS |
spack_foss-2022a_ppc | 6.185382143303331e-05 | 1.622475209739349e-09 | 5.023143064208512e-01 | PASS |
spack_foss-2023a_mpi_min | 6.185400605002167e-05 | 1.807092198102822e-09 | 5.594712687624837e-01 | PASS |
spack_foss-2023a_serial_omp | 6.185399470393094e-05 | 1.795746107369212e-09 | 5.559585471731305e-01 | PASS |
spack_foss-2022a_mpi | 6.185400605002167e-05 | 1.807092198102822e-09 | 5.594712687624837e-01 | PASS |
spack_foss-2023a_mpi | 6.185400605002167e-05 | 1.807092198102822e-09 | 5.594712687624837e-01 | PASS |
spack_foss-2023a_serial_debug | 6.185387531210118e-05 | 1.676354277613257e-09 | 5.189951323880052e-01 | PASS |
spack_foss-2023a_mpi_debug | 6.185400605002167e-05 | 1.807092198102822e-09 | 5.594712687624837e-01 | PASS |
spack_foss-2023a_mpi_omp | 6.185404060671251e-05 | 1.841648888945002e-09 | 5.701699346578954e-01 | PASS |
cmake_foss_2022a_full_serial | 6.185387531210118e-05 | 1.676354277613257e-09 | 5.189951323880052e-01 | PASS |
cmake_foss_2022a_min_serial | 6.185387531210118e-05 | 1.676354277613257e-09 | 5.189951323880052e-01 | PASS |
cmake_foss_2022a_min_mpi | 6.185400605002167e-05 | 1.807092198102822e-09 | 5.594712687624837e-01 | PASS |
cmake_foss_2022a_full_mpi | 6.185400605002167e-05 | 1.807092198102822e-09 | 5.594712687624837e-01 | PASS |
spack_intel-2023a_serial | 6.185378670786612e-05 | 1.587750042553182e-09 | 4.915634806666199e-01 | PASS |
spack_intel-2022a_impi_omp | 6.185403025499303e-05 | 1.831297169463397e-09 | 5.669650679453243e-01 | PASS |
spack_intel-2022a_serial_omp | 6.185402644998117e-05 | 1.827492157602251e-09 | 5.657870456972913e-01 | PASS |
spack_intel-2023a_serial_omp | 6.185398779823270e-05 | 1.788840409133741e-09 | 5.538205601033254e-01 | PASS |
spack_intel-2023a_impi | 6.185397343111410e-05 | 1.774473290527823e-09 | 5.493725357671277e-01 | PASS |
spack_foss-2023a_mpi_opt | 6.185400605002167e-05 | 1.807092198102822e-09 | 5.594712687624837e-01 | PASS |
spack_foss-2022a_cuda_mpi_omp | 6.185511859280179e-05 | 2.919634978226782e-09 | 9.039117579649479e-01 | PASS |
spack_foss-2022a_cuda_serial | 6.185503406846982e-05 | 2.835110646248751e-09 | 8.777432341327402e-01 | PASS |