Match comparison for Hartree energy (match type 28370)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.729242832000000e+01 | 1.900000000000000e-06 | 1.729242804760000e+01 | 2.781550642614985e-07 | 1.729242832000000e+01 | 5.600000001493299e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 17.29242832, precision: 0.0000019| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | 1.729242832000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| eb_fosscuda-2022a | 1.729242888000000e+01 | 5.600000001493299e-07 | 2.947368421838579e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| eb_foss-2022a_debug | 1.729242804000000e+01 | -2.799999982983081e-07 | -1.473684201570043e-01 | PASS |
| eb_foss-2022b_libxc6 | 1.729242810000000e+01 | -2.200000004393132e-07 | -1.157894739154280e-01 | PASS |
| eb_intel-2022a | 1.729242779000000e+01 | -5.299999976671188e-07 | -2.789473671932204e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.729242810000000e+01 | -2.200000004393132e-07 | -1.157894739154280e-01 | PASS |
| intel-2022b | 1.729242779000000e+01 | -5.299999976671188e-07 | -2.789473671932204e-01 | PASS |
| eb_intel-2022a_omp | 1.729242818000000e+01 | -1.399999973727972e-07 | -7.368420914357748e-02 | PASS |
| eb_foss-2022a_mpi_debug | 1.729242804000000e+01 | -2.799999982983081e-07 | -1.473684201570043e-01 | PASS |
| eb_intel-2022a_impi | 1.729242779000000e+01 | -5.299999976671188e-07 | -2.789473671932204e-01 | PASS |
| spack_foss-2022a_serial | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2022a_mpi | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.729242888000000e+01 | 5.600000001493299e-07 | 2.947368421838579e-01 | PASS |
| spack_foss-2022a_serial_min | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| intel-2022b_impi | 1.729242779000000e+01 | -5.299999976671188e-07 | -2.789473671932204e-01 | PASS |
| spack_foss-2022a_serial_debug | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.729242802000000e+01 | -2.999999999531155e-07 | -1.578947368174292e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2022a_mpi_omp | 1.729242802000000e+01 | -2.999999999531155e-07 | -1.578947368174292e-01 | PASS |
| eb_intel-2022a_omp_impi | 1.729242776000000e+01 | -5.600000001493299e-07 | -2.947368421838579e-01 | PASS |
| eb_foss-2022a_valgrind | 1.729242778000000e+01 | -5.399999984945225e-07 | -2.842105255234329e-01 | PASS |