Match comparison for nuclei-solvent int. energy (match type 25161)
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
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 | -3.106562500000000e-05 | 9.440396906380611e-08 | -3.089500000000000e-05 | 1.950000000000007e-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: -0.000031100000000000004, precision: 0.00000156| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| intel-serial: [intel2023a-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-ppc: [foss2022a-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.109000000000000e-05 | 1.000000000000160e-08 | 6.410256410257434e-03 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.070000000000000e-05 | 4.000000000000029e-07 | 2.564102564102583e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -3.070000000000000e-05 | 4.000000000000029e-07 | 2.564102564102583e-01 | PASS |