Match comparison for X Force Atom 1 [step 10] (match type 24691)
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.427031944168531e+00 | 5.430000000000000e-14 | -5.427031944168542e+00 | 1.582581491030302e-14 | -5.427031944168531e+00 | 2.442490654175344e-14 | PASS |
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Detailed information
Reference: -5.427031944168531, precision: 0.0000000000000543| Run | Value | Difference | Relative difference | Status |
| GCI_foss_min_autotools: [foss2023a-serial] | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| cmake_foss_2022a_full_serial | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| spack_foss-2023a_serial_min | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| spack_foss-2022a_serial_min | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| spack_foss-2022a_ppc | -5.427031944168507e+00 | 2.398081733190338e-14 | 4.416356783039297e-01 | PASS |
| spack_foss-2022a_serial | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -5.427031944168516e+00 | 1.509903313490213e-14 | 2.780669085617335e-01 | PASS |
| spack_foss-2023a_serial | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.427031944168551e+00 | -1.953992523340276e-14 | -3.598512934328316e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -5.427031944168551e+00 | -1.953992523340276e-14 | -3.598512934328316e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| spack_foss-2022a_mpi_min | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| spack_foss-2023a_mpi_min | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -5.427031944168507e+00 | 2.398081733190338e-14 | 4.416356783039297e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| spack_foss-2023a_mpi_opt | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| spack_foss-2023a_serial_debug | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| spack_foss-2022a_mpi | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| spack_foss-2023a_mpi | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| spack_foss-2023a_mpi_debug | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| spack_foss-2023a_mpi_omp | -5.427031944168514e+00 | 1.776356839400250e-14 | 3.271375394843923e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -5.427031944168537e+00 | -5.329070518200751e-15 | -9.814126184531771e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -5.427031944168539e+00 | -7.993605777301127e-15 | -1.472118927679766e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| spack_foss-2023a_serial_opt | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -5.427031944168551e+00 | -1.953992523340276e-14 | -3.598512934328316e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -5.427031944168514e+00 | 1.776356839400250e-14 | 3.271375394843923e-01 | PASS |
| spack_foss-2023a_serial_omp | -5.427031944168514e+00 | 1.776356839400250e-14 | 3.271375394843923e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| spack_foss-2023b_serial | -5.427031944168554e+00 | -2.220446049250313e-14 | -4.089219243554905e-01 | PASS |
| spack_intel-2023a_serial | -5.427031944168539e+00 | -7.993605777301127e-15 | -1.472118927679766e-01 | PASS |
| spack_intel-2022a_serial_omp | -5.427031944168516e+00 | 1.509903313490213e-14 | 2.780669085617335e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -5.427031944168516e+00 | 1.509903313490213e-14 | 2.780669085617335e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -5.427031944168551e+00 | -1.953992523340276e-14 | -3.598512934328316e-01 | PASS |
| spack_intel-2023a_serial_omp | -5.427031944168516e+00 | 1.509903313490213e-14 | 2.780669085617335e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -5.427031944168556e+00 | -2.486899575160351e-14 | -4.579925552781493e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| spack_intel-2023a_impi | -5.427031944168522e+00 | 9.769962616701378e-15 | 1.799256467164158e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -5.427031944168514e+00 | 1.776356839400250e-14 | 3.271375394843923e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -5.427031944168551e+00 | -1.953992523340276e-14 | -3.598512934328316e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -5.427031944168547e+00 | -1.598721155460225e-14 | -2.944237855359531e-01 | PASS |
| spack_intel-2022a_impi_omp | -5.427031944168514e+00 | 1.776356839400250e-14 | 3.271375394843923e-01 | PASS |
| spack_foss-2022a_cuda_serial | -5.427031944168556e+00 | -2.486899575160351e-14 | -4.579925552781493e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -5.427031944168511e+00 | 2.042810365310288e-14 | 3.762081704070512e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -5.427031944168537e+00 | -5.329070518200751e-15 | -9.814126184531771e-02 | PASS |