Match comparison for Exchange energy (match type 12948)
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Input 03-sodium_chain.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.359241890000000e+00 | 1.180000000000000e-07 | -2.359241835333334e+00 | 1.284090681348440e-08 | -2.359241845000000e+00 | 2.500000007010783e-08 | PASS |
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Detailed information
Reference: -2.35924189, precision: 0.000000118| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.359241820000000e+00 | 7.000000001866624e-08 | 5.932203391412394e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.359241820000000e+00 | 7.000000001866624e-08 | 5.932203391412394e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.359241870000000e+00 | 1.999999987845058e-08 | 1.694915243936490e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |