Match comparison for molecule-solvent int. energy (match type 25478)
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.215407030000000e+00 | 1.610000000000000e-07 | -3.215407030000000e+00 | 0.000000000000000e+00 | -3.215407030000000e+00 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -3.2154070299999997, precision: 0.000000161| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_autotools: [foss2023a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_autotools: [foss2022a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_autotools: [foss2023b-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| intel_autotools: [intel2023a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_cmake_ceph: [foss2022a-mpi, foss-min-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_cmake_ceph: [foss2023a-mpi, foss-min-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |