Match comparison for molecule-solvent int. energy (match type 25162)
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Input 20-pcm-local-field-absorption.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.000000000000000e-08 | 2.000000000000000e-07 | -4.909090909090908e-08 | 2.874797872880344e-09 | -4.500000000000000e-08 | 4.999999999999998e-09 | PASS |
Checks for this match
- GPU builders have different values.
- Precision seems too large.
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Detailed information
Reference: -0.00000004, precision: 0.0000002| Run | Value | Difference | Relative difference | Status |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -4.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -4.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-min: [foss2022a-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -5.000000000000000e-08 | -9.999999999999997e-09 | -4.999999999999999e-02 | PASS |