Match comparison for X Coordinate Atom 1 [step 20] (match type 24688)
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.206882840568162e-01 | 3.210000000000000e-15 | -3.206882840568162e-01 | 0.000000000000000e+00 | -3.206882840568162e-01 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.3206882840568162, precision: 0.00000000000000321| Run | Value | Difference | Relative difference | Status |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_ppc | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_min | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_debug | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.206882840568162e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |