Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.211520628226222e-03 | 5.140000000000000e-06 | -1.209104171148499e-03 | 3.793717116632182e-06 | -1.211573943639528e-03 | 4.622033061611741e-06 | PASS |
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Detailed information
Reference: -0.001211520628226222, precision: 0.00000514| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_ppc | -1.207161061433260e-03 | 4.359566792962394e-06 | 8.481647457125281e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.206976685432098e-03 | 4.543942794123451e-06 | 8.840355630590373e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.207454333974664e-03 | 4.066294251557851e-06 | 7.911078310423835e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.206973290279592e-03 | 4.547337946629810e-06 | 8.846960985661109e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_mpi | -1.207071143183483e-03 | 4.449485042738949e-06 | 8.656585686262547e-01 | PASS |
| spack_foss-2023a_mpi | -1.207174155190963e-03 | 4.346473035259308e-06 | 8.456173220348848e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.207070648317266e-03 | 4.449979908956398e-06 | 8.657548461004665e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.207034944832028e-03 | 4.485683394194135e-06 | 8.727010494541119e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.206988724837418e-03 | 4.531903388803544e-06 | 8.816932663041913e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.207005507282158e-03 | 4.515120944064083e-06 | 8.784281992342574e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.207024149095390e-03 | 4.496479130832115e-06 | 8.748013873214232e-01 | PASS |
| spack_foss-2023b_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_intel-2023a_serial | -1.207662999873849e-03 | 3.857628352373294e-06 | 7.505113526018081e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.207023383647005e-03 | 4.497244579217347e-06 | 8.749503072407290e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.207108607710075e-03 | 4.412020516146803e-06 | 8.583697502231135e-01 | PASS |
| spack_intel-2023a_impi | -1.207006472814437e-03 | 4.514155411784954e-06 | 8.782403524873451e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.207065610818264e-03 | 4.455017407957668e-06 | 8.667349042719199e-01 | PASS |