Match comparison for y (H2) (t=400 au) (match type 26057)
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.434725530000000e+00 | 1.000000000000000e-04 | 2.434731949455815e+00 | 4.275774305193103e-14 | 2.434731949455831e+00 | 8.015810237793630e-14 | PASS |
Checks for this match
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Detailed information
Reference: 2.43472553, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| GCI_foss_opt_autotools: [foss2023a-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| cmake_foss_2022a_full_serial | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| spack_foss-2022a_serial | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| spack_foss-2022a_ppc | 2.434731949455767e+00 | 6.419455766959459e-06 | 6.419455766959459e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | 2.434731949455766e+00 | 6.419455766071280e-06 | 6.419455766071280e-02 | PASS |
| spack_foss-2023a_serial | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | 2.434731949455767e+00 | 6.419455766959459e-06 | 6.419455766959459e-02 | PASS |
| cmake_foss_2022a_full_mpi | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | 2.434731949455775e+00 | 6.419455774953065e-06 | 6.419455774953065e-02 | PASS |
| spack_foss-2023a_serial_opt | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 2.434731949455824e+00 | 6.419455823802878e-06 | 6.419455823802878e-02 | PASS |
| spack_foss-2023a_serial_omp | 2.434731949455911e+00 | 6.419455911288452e-06 | 6.419455911288452e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| spack_foss-2023b_serial | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| spack_intel-2023a_serial | 2.434731949455775e+00 | 6.419455774953065e-06 | 6.419455774953065e-02 | PASS |
| spack_intel-2022a_serial_omp | 2.434731949455766e+00 | 6.419455766071280e-06 | 6.419455766071280e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | 2.434731949455766e+00 | 6.419455766071280e-06 | 6.419455766071280e-02 | PASS |
| spack_intel-2023a_serial_omp | 2.434731949455766e+00 | 6.419455766071280e-06 | 6.419455766071280e-02 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.434731949455751e+00 | 6.419455750972247e-06 | 6.419455750972247e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| spack_foss-2022a_cuda_serial | 2.434731949455751e+00 | 6.419455750972247e-06 | 6.419455750972247e-02 | PASS |