Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.020315146839614e+00 | 5.140000000000000e-06 | -2.020313728037619e+00 | 1.202429026097432e-06 | -2.020315146839614e+00 | 1.974344568056452e-06 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -2.0203151468396143, precision: 0.00000514| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -2.020313239278030e+00 | 1.907561584246764e-06 | 3.711209307873082e-01 | PASS |
| spack_foss-2022a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_serial_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| foss-2022a_opt | -2.020313362744527e+00 | 1.784095087664639e-06 | 3.471002116079064e-01 | PASS |
| intel-2022b | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| intel-2022a | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| spack_foss-2022a_serial_omp | -2.020313246865947e+00 | 1.899973666841248e-06 | 3.696446822648343e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| foss-2022a_omp | -2.020313293753011e+00 | 1.853086603276211e-06 | 3.605226854622978e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313240681378e+00 | 1.906158236586464e-06 | 3.708479059506739e-01 | PASS |
| intel-2022a_omp | -2.020313353265321e+00 | 1.793574293529332e-06 | 3.489444150835276e-01 | PASS |
| eb_fosscuda-2022a | -2.020313229136168e+00 | 1.917703446707719e-06 | 3.730940557797119e-01 | PASS |
| intel-2022b_impi | -2.020313236604893e+00 | 1.910234721513859e-06 | 3.716409964034746e-01 | PASS |
| intel-2022a_impi | -2.020313281024623e+00 | 1.865814991397485e-06 | 3.629990255637131e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.020313268704029e+00 | 1.878135584831853e-06 | 3.653960281774032e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| foss-2022a_mpi_omp | -2.020313236717853e+00 | 1.910121761206085e-06 | 3.716190196898998e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313330779145e+00 | 1.816060469117531e-06 | 3.533191574158621e-01 | PASS |
| eb_foss-2022a | -2.020313439073350e+00 | 1.707766263958632e-06 | 3.322502459063487e-01 | PASS |
| eb_foss-2022b_libxc6 | -2.020313172495046e+00 | 1.974344568278497e-06 | 3.841137292370616e-01 | PASS |
| eb_foss-2022a_debug | -2.020313439073350e+00 | 1.707766263958632e-06 | 3.322502459063487e-01 | PASS |
| intel-2022a_omp_impi | -2.020313437880927e+00 | 1.708958687451911e-06 | 3.324822349128232e-01 | PASS |
| eb_foss-2022a_mpi | -2.020313276555091e+00 | 1.870284523253218e-06 | 3.638685842905094e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.020313288658127e+00 | 1.858181486902311e-06 | 3.615139079576480e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.020313341688655e+00 | 1.805150959377499e-06 | 3.511966847037937e-01 | PASS |