Match comparison for Hartree energy (match type 20887)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 04-ACBN0_isolated.01-H_unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.080899600000000e-01 | 1.540000000000000e-07 | 3.080900100000002e-01 | 1.665334536937735e-16 | 3.080900100000000e-01 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: 0.30808996, precision: 0.000000154| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |