Match comparison for Hartree energy (match type 1018)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Input 28-carbon_big_box.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.067941250000000e+00 | 1.000000000000000e-04 | 1.067930460000000e+00 | 0.000000000000000e+00 | 1.067930460000000e+00 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 1.06794125, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |