Match comparison for molecule-solvent int. energy (match type 25489)
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Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
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 | -3.215658700000000e+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 |
| intel-serial: [intel2023a-serial] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| foss-serial: [foss2023a-serial] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| ppc: [foss2023a-serial] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| foss-parallel: [foss2023a-mpi] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -3.215658700000000e+00 | -4.440892098500626e-16 | -2.758318073602873e-10 | PASS |