Match comparison for electrons-solvent int. energy (match type 25160)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Input 20-pcm-local-field-absorption.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.104000000000000e-05 | 1.650000000000000e-07 | 3.113074074074074e-05 | 6.809176411426037e-08 | 3.102000000000000e-05 | 1.300000000000004e-07 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.00003104, precision: 0.000000165| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 3.089000000000000e-05 | -1.500000000000036e-07 | -9.090909090909312e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 3.089000000000000e-05 | -1.500000000000036e-07 | -9.090909090909312e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 3.115000000000000e-05 | 1.099999999999973e-07 | 6.666666666666500e-01 | PASS |