Match comparison for molecule-solvent int. energy (match type 25489)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.215658700000000e+00 | 1.610000000000000e-06 | -3.215658700000001e+00 | 4.440892098500626e-16 | -3.215658700000000e+00 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -3.2156586999999996, precision: 0.00000161| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| spack_foss-2022a_serial_min | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| foss-2022a_ppc | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| spack_foss-2022a_serial_opt | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| spack_foss-2022a_serial | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| foss-2022a_opt | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| intel-2022b | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| intel-2022a | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| spack_foss-2022a_serial_omp | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| cmake_foss_2022a_full_mpi | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| spack_foss-2022a_serial_debug | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| foss-2022a_omp | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| intel-2022a_omp | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| intel-2022b_impi | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| intel-2022a_impi | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| eb_fosscuda-2022a | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| cmake_foss_2022a_min_serial | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| foss-2022a_mpi_omp | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| cmake_foss_2022a_min_mpi | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| eb_foss-2022a | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| eb_foss-2022b_libxc6 | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| eb_foss-2022a_debug | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| intel-2022a_omp_impi | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| eb_foss-2022a_mpi | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| eb_foss-2022a_mpi_debug | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |