Match comparison for Hartree energy (numerical) (match type 21733)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
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 | 3.871004614452722e-01 | 1.099739487553411e-15 | 3.871004614452743e-01 | 2.914335439641036e-15 | PASS |
Checks for this match
- MPI builders have different values.
Loading plot...
Detailed information
Reference: 0.3871004614453, precision: 0.00000000000194| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 3.871004614452714e-01 | -2.864375403532904e-14 | -1.476482166769538e-02 | PASS |
| cmake_foss_2022a_full_serial | 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 |
| spack_foss-2022a_cuda_mpi_omp | 3.871004614452724e-01 | -2.764455331316640e-14 | -1.424976974905484e-02 | PASS |
| cmake_foss_2022a_min_mpi | 3.871004614452772e-01 | -2.281508315604697e-14 | -1.176035214229225e-02 | PASS |
| cmake_foss_2022a_full_mpi | 3.871004614452724e-01 | -2.764455331316640e-14 | -1.424976974905484e-02 | PASS |
| spack_foss-2022a_serial_min | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2022a_serial | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2022a_mpi_min | 3.871004614452724e-01 | -2.764455331316640e-14 | -1.424976974905484e-02 | PASS |
| spack_foss-2022a_mpi | 3.871004614452724e-01 | -2.764455331316640e-14 | -1.424976974905484e-02 | PASS |
| spack_foss-2023a_mpi | 3.871004614452724e-01 | -2.764455331316640e-14 | -1.424976974905484e-02 | PASS |
| spack_foss-2023a_mpi_min | 3.871004614452724e-01 | -2.764455331316640e-14 | -1.424976974905484e-02 | PASS |
| spack_foss-2023a_mpi_debug | 3.871004614452724e-01 | -2.764455331316640e-14 | -1.424976974905484e-02 | PASS |
| spack_foss-2023a_serial | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2023a_serial_min | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2022a_cuda_serial | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2023a_mpi_opt | 3.871004614452724e-01 | -2.764455331316640e-14 | -1.424976974905484e-02 | PASS |
| spack_foss-2023a_serial_debug | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2023a_serial_opt | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2023b_serial | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2023a_serial_omp | 3.871004614452715e-01 | -2.853273173286652e-14 | -1.470759367673532e-02 | PASS |
| spack_foss-2023a_mpi_omp | 3.871004614452724e-01 | -2.764455331316640e-14 | -1.424976974905484e-02 | PASS |
| spack_intel-2023a_serial | 3.871004614452717e-01 | -2.831068712794149e-14 | -1.459313769481520e-02 | PASS |
| spack_intel-2022a_serial_omp | 3.871004614452717e-01 | -2.831068712794149e-14 | -1.459313769481520e-02 | PASS |
| spack_intel-2023a_serial_omp | 3.871004614452717e-01 | -2.831068712794149e-14 | -1.459313769481520e-02 | PASS |
| spack_intel-2023a_impi | 3.871004614452727e-01 | -2.731148640577885e-14 | -1.407808577617467e-02 | PASS |
| spack_intel-2022a_impi_omp | 3.871004614452727e-01 | -2.731148640577885e-14 | -1.407808577617467e-02 | PASS |