Match comparison for molecule-solvent int. energy (match type 25478)
Commits >
Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac >
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 | 4.440892098500626e-16 | -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 |
| spack_foss-2022a_ppc | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| cmake_foss_2022a_full_serial | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| cmake_foss_2022a_min_serial | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| cmake_foss_2022a_min_mpi | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| cmake_foss_2022a_full_mpi | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_intel-2022a_serial_omp | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2022a_cuda_serial | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2022a_mpi_min | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2022a_serial | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2022a_mpi | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2022a_serial_min | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023a_mpi | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023a_mpi_min | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023a_serial | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023a_serial_min | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023a_serial_opt | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023a_mpi_opt | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023a_serial_debug | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023a_serial_omp | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023a_mpi_debug | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023b_serial | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_foss-2023a_mpi_omp | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_intel-2023a_serial | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_intel-2023a_serial_omp | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_intel-2023a_impi | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |
| spack_intel-2022a_impi_omp | -3.215407030000000e+00 | -4.440892098500626e-16 | -2.758318073602874e-09 | PASS |