Match comparison for Hartree energy (match type 1018)
Commits >
Commit a707423db2dcfe1920cae26cacaed48d94544399 >
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.
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Detailed information
Reference: 1.06794125, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| eb_foss-2022a | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| eb_fosscuda-2022a | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| eb_foss-2022a_debug | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| eb_foss-2022a_mpi | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| eb_foss-2022b_libxc6 | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss-2022a_opt | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel-2022a | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss-2022a_omp | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel-2022b | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| eb_foss-2022a_valgrind | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| spack_foss-2022a_serial | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel-2022a_omp | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel-2022a_impi | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel-2022b_impi | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| foss-2022a_mpi_omp | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| spack_foss-2022a_serial_min | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| spack_foss-2022a_serial_debug | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |
| intel-2022a_omp_impi | 1.067930460000000e+00 | -1.079000000014929e-05 | -1.079000000014929e-01 | PASS |