Match comparison for nuclei-solvent int. energy (match type 25161)
Commits >
Commit 701869cc1eb5c6c77a64efba9e1ed1058e4204f9 >
Input 20-pcm-local-field-absorption.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.110000000000000e-05 | 1.560000000000000e-06 | -3.117263157894737e-05 | 7.979197329788334e-08 | -3.107000000000000e-05 | 1.300000000000004e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.000031100000000000004, precision: 0.00000156| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| intel-serial: [intel2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss-serial: [foss2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| ppc: [foss2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| intel-serial-debug: [intel2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss-parallel: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.094000000000000e-05 | 1.600000000000052e-07 | 1.025641025641059e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -3.094000000000000e-05 | 1.600000000000052e-07 | 1.025641025641059e-01 | PASS |