Match comparison for X Coordinate Atom 1 [step 20] (match type 24688)
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
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 | -3.206882840568179e-01 | 1.956430129225452e-15 | -3.206882840568163e-01 | 2.636779683484747e-15 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -0.3206882840568162, precision: 0.00000000000000321| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.206882840568136e-01 | 2.609024107869118e-15 | 8.127800959093825e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.206882840568136e-01 | 2.609024107869118e-15 | 8.127800959093825e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.206882840568136e-01 | 2.609024107869118e-15 | 8.127800959093825e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.206882840568183e-01 | -2.053912595556540e-15 | -6.398481606095139e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.206882840568171e-01 | -8.881784197001252e-16 | -2.766910964797898e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.206882840568136e-01 | 2.609024107869118e-15 | 8.127800959093825e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.206882840568189e-01 | -2.664535259100376e-15 | -8.300732894393693e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.206882840568171e-01 | -8.881784197001252e-16 | -2.766910964797898e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.206882840568136e-01 | 2.609024107869118e-15 | 8.127800959093825e-01 | PASS |