Match comparison for nuclei-solvent int. energy (match type 25161)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 | -3.118266666666667e-05 | 6.485539470408188e-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_min_autotools: [foss2022a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.094000000000000e-05 | 1.600000000000052e-07 | 1.025641025641059e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.094000000000000e-05 | 1.600000000000052e-07 | 1.025641025641059e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.120000000000000e-05 | -9.999999999999565e-08 | -6.410256410256131e-02 | PASS |