Match comparison for Hyperpolarizability w=0.1 Re (match type 17704)
Commits >
Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 7.510437800000001e+01 | 3.760000000000000e-05 | 7.510437896969697e+01 | 1.527224628370328e-06 | 7.510437899999999e+01 | 2.999999999531155e-06 | PASS |
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Detailed information
Reference: 75.10437800000001, precision: 0.0000376| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 7.510437700000000e+01 | -1.000000011686097e-06 | -2.659574499165153e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 7.510437700000000e+01 | -1.000000011686097e-06 | -2.659574499165153e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss-ppc: [foss2022a-serial] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| foss-serial-debug: [foss2023a-serial] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | 7.510437700000000e+01 | -1.000000011686097e-06 | -2.659574499165153e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 7.510438200000000e+01 | 3.999999989900971e-06 | 1.063829784548131e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 7.510437700000000e+01 | -1.000000011686097e-06 | -2.659574499165153e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 7.510438200000000e+01 | 3.999999989900971e-06 | 1.063829784548131e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 7.510438100000000e+01 | 2.999999992425728e-06 | 7.978723384110979e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 7.510438100000000e+01 | 2.999999992425728e-06 | 7.978723384110979e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| intel-serial: [intel2023a-serial] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 7.510437600000000e+01 | -2.000000009161340e-06 | -5.319148960535479e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| valgrind: [foss2023a-serial] | 7.510437600000000e+01 | -2.000000009161340e-06 | -5.319148960535479e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |