Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 >
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 | -2.020313745504252e+00 | 1.222280568687943e-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 |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313465948023e+00 | 1.680891591693268e-06 | 3.270217104461610e-01 | PASS |
| eb_fosscuda-2022a | -2.020313229136168e+00 | 1.917703446707719e-06 | 3.730940557797119e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313287680706e+00 | 1.859158908601444e-06 | 3.617040678212926e-01 | PASS |
| eb_foss-2022a | -2.020313439073350e+00 | 1.707766263958632e-06 | 3.322502459063487e-01 | PASS |
| eb_foss-2022a_debug | -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_mpi | -2.020313330721209e+00 | 1.816118405439937e-06 | 3.533304290739177e-01 | PASS |
| foss-2022a_opt | -2.020313362744527e+00 | 1.784095087664639e-06 | 3.471002116079064e-01 | PASS |
| foss-2022a_omp | -2.020313293753011e+00 | 1.853086603276211e-06 | 3.605226854622978e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.020313379882194e+00 | 1.766957419935267e-06 | 3.437660350068612e-01 | PASS |
| intel-2022a | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.020313204719493e+00 | 1.942120121611879e-06 | 3.778443816365523e-01 | PASS |
| intel-2022b | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.020313253367544e+00 | 1.893472070690905e-06 | 3.683797802900593e-01 | PASS |
| spack_foss-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| intel-2022a_omp | -2.020313353265321e+00 | 1.793574293529332e-06 | 3.489444150835276e-01 | PASS |
| intel-2022a_impi | -2.020313230561603e+00 | 1.916278011826478e-06 | 3.728167338183809e-01 | PASS |
| spack_foss-2022a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| foss-2022a_mpi_omp | -2.020313256971051e+00 | 1.889868562976460e-06 | 3.676787087502841e-01 | PASS |
| intel-2022b_impi | -2.020313228523348e+00 | 1.918316266724673e-06 | 3.732132814639442e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_serial_omp | -2.020313246865947e+00 | 1.899973666841248e-06 | 3.696446822648343e-01 | PASS |
| intel-2022a_omp_impi | -2.020313245910232e+00 | 1.900929381903893e-06 | 3.698306190474500e-01 | PASS |