Match comparison for Initial energy (match type 26078)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744576068000000e+01 | 1.000000000000000e-04 | -3.744576714000000e+01 | 0.000000000000000e+00 | -3.744576714000000e+01 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -37.44576068, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2022a_serial | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2022a_serial_min | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2022a_ppc | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2023a_serial | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2023b_serial | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2022a_mpi | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2023a_mpi | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_intel-2023a_serial | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_intel-2023a_impi | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |