Match comparison for Hartree energy (numerical) (match type 21733)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 05-hartree_3d_fft.05-3d_2d_periodic.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.871004614453000e-01 | 1.940000000000000e-12 | 3.871004614452719e-01 | 1.094381850520927e-15 | 3.871004614452743e-01 | 2.914335439641036e-15 | PASS |
Checks for this match
- MPI builders have different values.
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Detailed information
Reference: 0.3871004614453, precision: 0.00000000000194| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2022a_serial_min | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| foss-2022a_ppc | 3.871004614452714e-01 | -2.864375403532904e-14 | -1.476482166769538e-02 | PASS |
| spack_foss-2022a_serial_opt | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2022a_serial | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| foss-2022a_opt | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| intel-2022b | 3.871004614452717e-01 | -2.831068712794149e-14 | -1.459313769481520e-02 | PASS |
| intel-2022a | 3.871004614452717e-01 | -2.831068712794149e-14 | -1.459313769481520e-02 | PASS |
| spack_foss-2022a_serial_omp | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| cmake_foss_2022a_full_mpi | 3.871004614452724e-01 | -2.764455331316640e-14 | -1.424976974905484e-02 | PASS |
| spack_foss-2022a_serial_debug | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| foss-2022a_omp | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| intel-2022a_omp | 3.871004614452717e-01 | -2.831068712794149e-14 | -1.459313769481520e-02 | PASS |
| intel-2022b_impi | 3.871004614452725e-01 | -2.753353101070388e-14 | -1.419254175809479e-02 | PASS |
| intel-2022a_impi | 3.871004614452725e-01 | -2.753353101070388e-14 | -1.419254175809479e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | 3.871004614452722e-01 | -2.781108676686017e-14 | -1.433561173549494e-02 | PASS |
| eb_fosscuda-2022a | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| cmake_foss_2022a_min_serial | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| foss-2022a_mpi_omp | 3.871004614452722e-01 | -2.781108676686017e-14 | -1.433561173549494e-02 | PASS |
| cmake_foss_2022a_min_mpi | 3.871004614452772e-01 | -2.281508315604697e-14 | -1.176035214229225e-02 | PASS |
| eb_foss-2022a | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| eb_foss-2022b_libxc6 | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| eb_foss-2022a_debug | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| intel-2022a_omp_impi | 3.871004614452725e-01 | -2.753353101070388e-14 | -1.419254175809479e-02 | PASS |
| eb_foss-2022a_mpi | 3.871004614452722e-01 | -2.781108676686017e-14 | -1.433561173549494e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | 3.871004614452722e-01 | -2.781108676686017e-14 | -1.433561173549494e-02 | PASS |
| eb_foss-2022a_mpi_debug | 3.871004614452722e-01 | -2.781108676686017e-14 | -1.433561173549494e-02 | PASS |